SCHEMBL2361740

SCHEMBL2361740

O=c1ccnc2ccc3ncccc3c2n1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.60
MAPT P10636 3/20 0.58
KDM4E B2RXH2 2/20 0.58
CYP3A4 P08684 1/20 0.52
NCOA1 Q15788 2/20 0.46
MEN1 O00255 2/20 0.46
HSP90AA1 P07900 2/20 0.46
KMT2A Q03164 2/20 0.46
HSP90AB1 P08238 1/20 0.46
HTT P42858 1/20 0.46
BLM P54132 1/20 0.46
HIF1A Q16665 1/20 0.46
ERN1 O75460 1/20 0.43
CYP1A2 P05177 3/20 0.41
CYP1B1 Q16678 2/20 0.41
NCOA3 Q9Y6Q9 1/20 0.41
POLB P06746 2/20 0.41
TSHR P16473 1/20 0.40
ALDH1A1 P00352 1/20 0.40
MET P08581 1/20 0.40

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7433014 0.83 LMNA (0.70) LMNAMAPTKDM4ECYP3A4NCOA1
SCHEMBL7610124 0.81 LMNA (0.61) LMNAMAPTKDM4ECYP3A4NCOA1
SCHEMBL1415999 0.79 LMNA (0.69) LMNAMAPTKDM4ECYP3A4NCOA1
SCHEMBL31530746 0.78 LMNA (0.58) LMNAMAPTKDM4ECYP3A4NCOA1
SCHEMBL8911780 0.78 LMNA (0.62) LMNAMAPTKDM4ECYP3A4NCOA1
SCHEMBL2362178 0.77 LMNA (0.56) LMNAMAPTKDM4ECYP3A4NCOA1
SCHEMBL13859959 0.76 MAPT (0.71) LMNAMAPTKDM4ECYP3A4NCOA1
SCHEMBL13859943 0.76 MAPT (0.58) LMNAMAPTKDM4ECYP3A4NCOA1
SCHEMBL2047789 0.76 CYP3A4 (0.62) LMNAMAPTKDM4ECYP3A4MEN1
SCHEMBL18743109 0.76 LMNA (0.55) LMNAMAPTKDM4ECYP3A4NCOA1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 54 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110294881-A1 METHODS FOR TREATING LOWER URINARY TRACT DISORDERS USING alpha2delta SUBUNIT CALCIUM CHANNEL MODULATORS WITH SMOOTH MUSCLE MODULATORS EDUSA PHARMACEUTICALS, INC. (US) 2011-12-01 US disclosed
EP-1901775-B1 KININ ANTAGONISTS FOR TREATING BLADDER DYSFUNCTION JERINI AG (DE) 2011-08-24 EP disclosed
US-20080275080-A1 Methods for treating lower urinary tract disorders using alpha2delta subunit channel modulators with smooth muscle modulators DYNOGEN PHARMACUETICALS, INC. (US) 2008-11-06 US disclosed
US-20080221039-A1 Kinin Antagonists For Treating Bladder Dysfunction JERINI AG (DE) 2008-09-11 US disclosed
US-20080085916-A1 METHODS FOR TREATING LOWER URINARY TRACT DISORDERS USING ALPHA2DELTA SUBUNIT CALCIUM CHANNEL MODULATORS WITH SMOOTH MUSCLE MODULATORS DYNOGEN PHARMACEUTICALS, INC. (US) 2008-04-10 US disclosed
EP-1901775-A2 KININ ANTAGONISTS FOR TREATING BLADDER DYSFUNCTION Jerini AG (DE) 2008-03-26 EP disclosed
EP-1539181-B1 METHOD OF TREATING LOWER URINARY TRACT DISORDERS DYNOGEN PHARMACEUTICALS INC (US) 2007-06-27 EP disclosed
EP-1795196-A2 Method of treating lower urinary tract disorders Dynogen Pharmaceuticals, Inc. (US) 2007-06-13 EP disclosed
US-20070105785-A1 Methods of treating non-inflammatory gastrointestinal tract disorders using Cav2.2 subunit calcium channel modulators DYNOGEN PHARMACEUTICALS, INC. (US) 2007-05-10 US disclosed
US-20070060652-A1 Methods for treating lower urinary tract disorders using alpha2delta subunit calcium channel modulators with smooth muscle modulators DYNOGEN PHARMACEUTICALS, INC. (US) 2007-03-15 US disclosed
WO-2004084881-A1 METHODS FOR TREATING FUNCTIONAL BOWEL DISORDERS USING α2δ SUBUNIT CALCIUM CHANNEL MODULATORS WITH SMOOTH MUSCLE MODULATORS DYNOGEN PHARMACEUTICALS, INC. (US) 2004-10-07 WO disclosed
WO-2004084879-A1 METHODS FOR TREATING LOWER URINARY TRACT DISORDERS USING SMOOTH MUSCLE MODULATORS AND ALPHA-2-DELTA SUBUNIT CALCIUM CHANNEL MODULATORS DYNOGEN PHARMACEUTICALS, INC. (US) 2004-10-07 WO disclosed
WO-2004066990-A2 METHODS OF TREATING LOWER URINARY TRACT DISORDERS USING SODIUM CHANNEL MODULATORS DYNOGEN PHARMACEUTICALS, INC. (US) 2004-08-12 WO disclosed
EP-0213293-B1 11-Substituted 5,11-dihydro-6H-pyrido[2,3-b][1,4]benzodiazepin-6-ones, process for their preparation and medicaments containing them Dr. Karl Thomae GmbH (DE) 1992-01-02 EP disclosed
EP-0126366-B1 QUATERNARY SALTS OF DIBENZO(1,4)DIAZEPINONE, PYRIDO-(1,4)BENZODIAZEPINONE, PYRIDO(1,5)BENZODIAZEPINONE DERIVATIVES AND PHARMACOLOGICAL ACTIVITY THEREOF DOMPE' FARMACEUTICI S.p.A. (IT) 1988-12-14 EP disclosed
EP-0125607-B1 PYRIDO(1,5)BENZODIAZEPINONE DERIVATIVES AND PHARMACOLOGICAL ACTIVITIES THEREOF DOMPE' FARMACEUTICI S.p.A. (IT) 1988-10-26 EP disclosed
US-4594190-A Quaternary salts of dibenzo[1,4]diazepinones, pyrido-[1,4]benzodiazepinones, pyrido[1,5]benzodiazepinones with antiulcer, antisecretory, spasmolytic and antimusarinic activities DOMPE' FARMACEUTICI S.P.A. (IT) 1986-06-10 US disclosed
US-4556653-A ANTISECRETORY, ANTIULCER AND ANTISPASMODIC AGENTS DOMPE' FARMACEUTICA S.P.A. (IT) 1985-12-03 US disclosed
EP-0126366-A2 Quaternary salts of dibenzo(1,4)diazepinone, pyrido-(1,4)benzodiazepinone, pyrido(1,5)benzodiazepinone derivatives and pharmacological activity thereof DOMPE' FARMACEUTICI S.p.A. (IT) 1984-11-28 EP disclosed
EP-0125607-A2 Pyrido(1,5)benzodiazepinone derivatives and pharmacological activities thereof DOMPE' FARMACEUTICI S.p.A. (IT) 1984-11-21 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (6 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20070105785-A1 Methods of treating non-inflammatory gastrointestinal tract disorders using Cav2.2 subunit calcium channel modulators CACNB2, RYR2, FABP2 LMNA 3209/4885MAPT 2937/4885KDM4E 4198/4885
US-20080221039-A1 Kinin Antagonists For Treating Bladder Dysfunction BDKRB2, BDKRB1, F2R LMNA 3313/4885MAPT 3933/4885KDM4E 3659/4885
US-20070060652-A1 Methods for treating lower urinary tract disorders using alpha2delta subunit calcium channel modulators with smooth muscle modulators GABRB2, GABRB3, GABRB1 LMNA 1728/4885MAPT 2775/4885KDM4E 3557/4885
US-20080085916-A1 METHODS FOR TREATING LOWER URINARY TRACT DISORDERS USING ALPHA2DELTA SUBUNIT CALCIUM CHANNEL MODULATORS WITH SMOOTH MUSCLE MODULATORS GABRB2, GABRB3, GABRB1 LMNA 1728/4885MAPT 2775/4885KDM4E 3557/4885
US-20080275080-A1 Methods for treating lower urinary tract disorders using alpha2delta subunit channel modulators with smooth muscle modulators GABRB2, GABRB3, GABRB1 LMNA 1854/4885MAPT 3038/4885KDM4E 3559/4885
US-20110294881-A1 METHODS FOR TREATING LOWER URINARY TRACT DISORDERS USING alpha2delta SUBUNIT CALCIUM CHANNEL MODULATORS WITH SMOOTH MUSCLE MODULATORS GABRB2, GABRB3, GABRB1 LMNA 1728/4885MAPT 2775/4885KDM4E 3557/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.