SCHEMBL3479396

SCHEMBL3479396

N#Cc1ccc(-c2ccccc2Cl)[nH]c1=O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.53
ALDH1A1 P00352 6/20 0.53
GAA P10253 5/20 0.53
GLA P06280 3/20 0.53
HPGD P15428 2/20 0.53
MEN1 O00255 1/20 0.53
KMT2A Q03164 1/20 0.53
MDM2 Q00987 1/20 0.47
L3MBTL1 Q9Y468 4/20 0.46
GALR3 O60755 1/20 0.44
PIM1 P11309 3/20 0.42
POLB P06746 2/20 0.42
ATM Q13315 2/20 0.42
AR P10275 1/20 0.42
CRHBP P24387 1/20 0.41
CRHR2 Q13324 1/20 0.41
LRRK2 Q5S007 1/20 0.40
MCL1 Q07820 1/20 0.40
CSNK2A2 P19784 1/20 0.39
CSNK2B P67870 1/20 0.39

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
SCHEMBL9529006 0.81 MDM2 (0.47) KDM4EALDH1A1GAAGLAHPGD
SCHEMBL8064436 0.81 PIM1 (0.56) KDM4EALDH1A1GAAGLAHPGD
SCHEMBL9525995 0.79 KDM4E (0.42) KDM4EALDH1A1GAAGLAHPGD
SCHEMBL9754547 0.78 MCL1 (0.55) KDM4EALDH1A1GAAGLAHPGD
SCHEMBL7649493 0.77 KDM4E (0.56) KDM4EALDH1A1GAAGLAHPGD
SCHEMBL7646365 0.77 PDE5A (0.50) KDM4EALDH1A1GAAGLAMDM2
SCHEMBL4474609 0.76 MDM2 (0.62) KDM4EALDH1A1GAAGLAHPGD
SCHEMBL7644788 0.75 PDE5A (0.45) KDM4EALDH1A1GAAGLAHPGD
SCHEMBL3479424 0.74 HPGD (0.48) KDM4EALDH1A1GAAGLAHPGD
SCHEMBL11629754 0.74 GUSB (0.48) KDM4EALDH1A1GAAGLAHPGD

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100029697-A1 SUBSTITUTED PYRIDO[3,2-E][1,2,4]TRIAZOLO[4,3-C]PYRIMIDINE DERIVATIVES AS CANNABINOID-1 RECEPTOR MODULATORS MERCK SHARP & DOHME CORP. 2010-02-04 US disclosed
EP-2139333-A1 SUBSTITUTED PYRIDO[3,2-E][1,2,4]TRIAZOLO[4,3-C]PYRIMIDINE DERIVATIVES AS CANNABINOID-1 RECEPTOR MODULATORS Merck & Co., Inc. (US) 2010-01-06 EP disclosed
WO-2008118414-A1 SUBSTITUTED PYRIDO[3,2-E][1,2,4]TRIAZOLO[4,3-C]PYRIMIDINE DERIVATIVES AS CANNABINOID-1 RECEPTOR MODULATORS MERCK & CO., INC. (US) 2008-10-02 WO disclosed
EP-0636142-B1 LACTAM PEPTIDES HAVING HLE INHIBITING ACTIVITY ZENECA LTD (GB) 1998-06-17 EP disclosed
US-5721222-A Heterocyclic ketones ZENECA LIMITED (GB) 1998-02-24 US disclosed
EP-0509769-B1 Heterocyclic amides having HLE inhibiting activity ZENECA LTD (GB) 1996-09-11 EP disclosed
US-5521179-A Heterocyclic amides ZENECA LIMITED (GB) 1996-05-28 US disclosed
US-5486529-A Certain pyridyl ketones for treating diseases involving leukocyte elastase ZENECA LIMITED (GB) 1996-01-23 US disclosed
EP-0636142-A1 LACTAM PEPTIDES HAVING HLE INHIBITING ACTIVITY ZENECA LIMITED (GB) 1995-02-01 EP disclosed
WO-1993021209-A1 LACTAM PEPTIDES HAVING HLE INHIBITING ACTIVITY ZENECA LIMITED (GB) 1993-10-28 WO disclosed
EP-0509769-A2 Heterocyclic amides having HLE inhibiting activity ZENECA LIMITED (GB) 1992-10-21 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 (1 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-20100029697-A1 SUBSTITUTED PYRIDO[3,2-E][1,2,4]TRIAZOLO[4,3-C]PYRIMIDINE DERIVATIVES AS CANNABINOID-1 RECEPTOR MODULATORS CNR1, CNR2, FAAH KDM4E 1920/4885ALDH1A1 3380/4885GAA 1820/4885

“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.