SCHEMBL1746427

SCHEMBL1746427

CC1(C)C/C(=N\O)c2cnn(-c3ccc(C(N)=O)cc3)c2C1

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CA4 P22748 8/20 0.48
CA2 P00918 6/20 0.48
CA1 P00915 4/20 0.48
CA9 Q16790 1/20 0.48
USP7 Q93009 1/20 0.44
HSP90AA1 P07900 5/20 0.43
MAPKAPK2 P49137 1/20 0.43
LMNA P02545 1/20 0.42
TSHR P16473 1/20 0.42
HSP90AB1 P08238 4/20 0.42
NPC1 O15118 1/20 0.37

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
SCHEMBL1220302 1.00 CA4 (0.48) CA4CA2CA1CA9USP7
SCHEMBL1220300 1.00 CA4 (0.48) CA4CA2CA1CA9USP7
SCHEMBL1220377 0.89 CA2 (0.47) CA4CA2CA1CA9USP7
SCHEMBL1746019 0.89 CA2 (0.47) CA4CA2CA1CA9USP7
SCHEMBL1220381 0.89 CA2 (0.47) CA4CA2CA1CA9USP7
SCHEMBL1219732 0.86 CA2 (0.44) CA4CA2CA1CA9USP7
SCHEMBL1219729 0.86 CA2 (0.44) CA4CA2CA1CA9USP7
SCHEMBL1219306 0.84 CA4 (0.67) CA4CA2CA1CA9USP7
SCHEMBL1219059 0.83 CA2 (0.42) CA4CA2CA1CA9USP7
SCHEMBL1219062 0.83 CA2 (0.42) CA4CA2CA1CA9USP7

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-20200071308-A1 Benzene, Pyridine, and Pyridazine Derivatives ESANEX INC (US) 2020-03-05 US claimed
US-20170260174-A1 Benzene, Pyridine, and Pyridazine Derivatives ESANEX INC (US) 2017-09-14 US claimed
EP-2380879-B1 Tetrahydroindolone and tetrahydroindazolone derivatives ESANEX INC (US) 2017-07-12 EP claimed
US-20140343037-A1 BENZENE, PYRIDINE, AND PYRIDAZINE DERIVATIVES SERENEX, INC. 2014-11-20 US claimed
EP-1856057-B1 TETRAHYDROINDOLONE AND TETRAHYDROINDAZOLONE DERIVATIVES SERENEX INC (US) 2014-10-15 EP claimed
US-20130137686-A1 BENZENE, PYRIDINE, AND PYRIDAZINE DERIVATIVES SERENEX, INC. 2013-05-30 US claimed
EP-2380879-A1 Tetrahydroindolone and tetrahydroindazolone derivatives Serenex, Inc. (US) 2011-10-26 EP claimed
US-20110252835-A1 HEAT PUMP (SERVER) COUPLED WASHER AND DRYER PAIR WHIRLPOOL CORPORATION (US) 2011-10-20 US claimed
US-20110183977-A1 BENZENE, PYRIDINE, AND PYRIDAZINE DERIVATIVES SERENEX, INC. (US) 2011-07-28 US claimed
US-20060211737-A1 Anticancer, inflammation, arthritis, angiogenesis, neurodegenerative diseases, fungal infections, malaria; Heat-shock protein 90 inhibitors; 4-(6,6-Dimethyl-4-oxo-3-methyl-4,5,6,7-tetrahydro-indazol-1-yl)-2-(3,4,5-trimethoxyanilino)-benzamide ESANEX, INC. 2006-09-21 US claimed
US-20160143884-A1 USE OF TETRAHYDROINDAZOLYLBENZAMIDE AND TETRAHYDROINDOLYLBENZAMIDE DERIVATIVES FOR THE TREATMENT OF HUMAN IMMUNODEFICIENCY VIRUS (HIV) AND ACQUIRED IMMUNE DEFICIENCY SYNDROME (AIDS) NATIONAL INSTITUTES OF HEALTH - DIRECTOR DEITR 2016-05-26 US 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 (7 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-20130137686-A1 BENZENE, PYRIDINE, AND PYRIDAZINE DERIVATIVES CDK4, P2RX4, MKI67 CA4 1267/4885CA2 3229/4885CA1 4205/4885
US-20170260174-A1 Benzene, Pyridine, and Pyridazine Derivatives CDK4, P2RX4, MKI67 CA4 1267/4885CA2 3229/4885CA1 4205/4885
US-20140343037-A1 BENZENE, PYRIDINE, AND PYRIDAZINE DERIVATIVES CDK4, P2RX4, MKI67 CA4 1267/4885CA2 3229/4885CA1 4205/4885
US-20060211737-A1 Anticancer, inflammation, arthritis, angiogenesis, neurodegenerative diseases, fungal infections, malaria; Heat-shock protein 90 inhibitors; 4-(6,6-Dimethyl-4-oxo-3-methyl-4,5,6,7-tetrahydro-indazol-1-yl)-2-(3,4,5-trimethoxyanilino)-benzamide HSF1, HSPA4, HSP90AB1 CA4 2681/4885CA2 2948/4885CA1 3701/4885
US-20200071308-A1 Benzene, Pyridine, and Pyridazine Derivatives CDK4, P2RX4, MKI67 CA4 1267/4885CA2 3229/4885CA1 4205/4885
US-20160143884-A1 USE OF TETRAHYDROINDAZOLYLBENZAMIDE AND TETRAHYDROINDOLYLBENZAMIDE DERIVATIVES FOR THE TREATMENT OF HUMAN IMMUNODEFICIENCY VIRUS (HIV) AND ACQUIRED IMMUNE DEFICIENCY SYNDROME (AIDS) HSP90AB1, HSP90B1, HSP90AB2P CA4 4743/4885CA2 4687/4885CA1 4784/4885
US-20110183977-A1 BENZENE, PYRIDINE, AND PYRIDAZINE DERIVATIVES CDK4, P2RX4, MKI67 CA4 1267/4885CA2 3229/4885CA1 4205/4885

“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.