SCHEMBL6263442

SCHEMBL6263442

Cc1nn(-c2ccccc2)nc1C(=O)NC(=N)N

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.67
PKM P14618 2/20 0.67
ADORA2A P29274 2/20 0.67
LMNA P02545 1/20 0.67
ADORA3 P0DMS8 1/20 0.67
ADORA2B P29275 1/20 0.67
ADORA1 P30542 1/20 0.67
KAT2B Q92831 1/20 0.67
MAPT P10636 3/20 0.54
HDAC1 Q13547 2/20 0.52
POLB P06746 1/20 0.50
ALDH1A1 P00352 5/20 0.49
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
HPGD P15428 2/20 0.49
HSD17B10 Q99714 1/20 0.49
TSHR P16473 1/20 0.45
ITGB1 P05556 1/20 0.42
ITGA4 P13612 1/20 0.42
KCNH2 Q12809 1/20 0.41

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
Hydrochloric Acid SCHEMBL6313762 0.99 KDM4E (0.65) KDM4EPKMADORA2ALMNAADORA3
SCHEMBL6319598 0.89 KDM4E (0.51) KDM4EPKMADORA2ALMNAADORA3
SCHEMBL6321413 0.87 KDM4E (0.50) KDM4EPKMADORA2ALMNAADORA3
SCHEMBL6318412 0.86 PKM (0.49) KDM4EPKMADORA2ALMNAADORA3
SCHEMBL6319215 0.86 PKM (0.66) KDM4EPKMADORA2ALMNAADORA3
SCHEMBL6259451 0.85 PKM (0.48) KDM4EPKMADORA2ALMNAADORA3
SCHEMBL3709038 0.84 PKM (0.47) KDM4EPKMADORA2ALMNAADORA3
Hydrochloric Acid SCHEMBL6313034 0.84 PKM (0.47) KDM4EPKMADORA2ALMNAADORA3
Hydrochloric Acid SCHEMBL6313060 0.84 KDM4E (0.47) KDM4EPKMADORA2ALMNAADORA3
Hydrochloric Acid SCHEMBL6313310 0.83 ALDH1A1 (0.54) KDM4EPKMADORA2ALMNAADORA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6941051-B2 Method for producing non-linear optical organic crystal film REVEO, INC. (US) 2005-09-06 US claimed
EP-1499317-A1 TREATMENT OF DIABETES AND DIABETIC COMPLICATIONS WITH NHE-1 INHIBITORS Pfizer Products Inc. (US) 2005-01-26 EP claimed
US-20040033038-A1 Method for producing non-linear optical organic crystal film XU JIANJUN (US) 2004-02-19 US claimed
WO-2003092694-A1 TREATMENT OF DIABETES AND DIABETIC COMPLICATIONS WITH NHE-1 INHIBITORS PFIZER PRODUCTS INC. (US) 2003-11-13 WO claimed
US-20030149043-A1 N-[(substituted five-membered di-or triaza diunsaturated ring)carbonyl] guanidine derivatives for the treatment of ischemia PFIZER INC. 2003-08-07 US claimed
US-6577798-B2 Method for producing non-linear optical organic crystal film REVEO, INC. 2003-06-10 US claimed
CN-1370531-A Combined therapy PFIZER PRODUCT CO (US) 2002-09-25 CN claimed
EP-1226830-A2 Combination therapy involving a sodium-hydrogen exchanger type 1 or NHE-1 inhibitor for use in treatment of ischemia Pfizer Products Inc. (US) 2002-07-31 EP claimed
US-20020099075-A1 COMBINATION THERAPY TRACEY WAYNE R (US) 2002-07-25 US claimed
US-6423705-B1 FOR ISCHEMIA BY ADMINISTERING AN NHE-1 INHIBITOR AND A SECOND COMPOUND SELECTED FROM COMPLEMENT MODULATOR, METABOLIC MODULATOR, ANTIAPOPTOTIC AGENT, NITRIC OXIDE SYNTHASE-RELATED AGENT, AND AN ENZYME/PROTEIN MODULATOR PFIZER INC. 2002-07-23 US claimed
US-20020041427-A1 Method for producing non-linear optical organic crystal film REVEO, INC. 2002-04-11 US claimed
WO-2002008828-A2 COMPOSITE NONLINEAR OPTICAL FILM, METHOD OF PRODUCING THE SAME AND APPLICATIONS OF THE SAME REVEO, INC. (US) 2002-01-31 WO claimed
WO-2002006890-A2 METHOD FOR PRODUCING NON-LINEAR OPTICAL ORGANIC CRYSTAL FILM REVEO, INC. (US) 2002-01-24 WO claimed
US-6303056-B1 Composite nonlinear optical film, method of producing the same and applications of the same REVEO, INC. 2001-10-16 US claimed
CN-1289326-A N-[(substituted five-membered di-or thiaza diunsaturated ring) carbonyl] guanidine derivatives for the treatment of ischemia PFIZER PROD INC (US) 2001-03-28 CN claimed
EP-1056729-A1 N-[(SUBSTITUTED FIVE-MEMBERED DI- OR TRIAZA DIUNSATURATED RING)CARBONYL]GUANIDINE DERIVATIVES FOR THE TREATMENT OF ISCHEMIA Pfizer Products Inc. (US) 2000-12-06 EP claimed
WO-1999043663-A1 N-[(SUBSTITUTED FIVE-MEMBERED DI- OR TRIAZA DIUNSATURATED RING)CARBONYL] GUANIDINE DERIVATIVES FOR THE TREATMENT OF ISCHEMIA PFIZER PRODUCTS INC. (US) 1999-09-02 WO claimed
WO-2015189236-A1 METHODS AND PHARMACEUTICAL COMPOSITIONS FOR REDUCING CD95-MEDIATED CELL MOTILITY INSERM (Institut National de la Santé et de la Recherche Médicale) (FR) 2015-12-17 WO disclosed
EP-1056729-A1 N-[(SUBSTITUTED FIVE-MEMBERED DI- OR TRIAZA DIUNSATURATED RING)CARBONYL]GUANIDINE DERIVATIVES FOR THE TREATMENT OF ISCHEMIA Pfizer Products Inc. (US) 2000-12-06 EP disclosed
WO-1999043663-A1 N-[(SUBSTITUTED FIVE-MEMBERED DI- OR TRIAZA DIUNSATURATED RING)CARBONYL] GUANIDINE DERIVATIVES FOR THE TREATMENT OF ISCHEMIA PFIZER PRODUCTS INC. (US) 1999-09-02 WO 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 (2 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-20030149043-A1 N-[(substituted five-membered di-or triaza diunsaturated ring)carbonyl] guanidine derivatives for the treatment of ischemia NHERF1, SLC28A1, TNNI3 KDM4E 3920/4885PKM 3050/4885ADORA2A 999/4885
US-20020099075-A1 COMBINATION THERAPY TFPI, SLC9A1, TFPI2 KDM4E 4327/4885PKM 1086/4885ADORA2A 713/4885

“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.