SCHEMBL4082373

SCHEMBL4082373

NC(=O)Nc1nc2c(s1)-c1c(cnn1-c1ccccc1)C2

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RIPK2 O43353 1/20 0.37
TRPV4 Q9HBA0 1/20 0.37
ALDH1A1 P00352 5/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
TP53 P04637 1/20 0.36
POLB P06746 1/20 0.36
GRM2 Q14416 1/20 0.36
DRD4 P21917 1/20 0.35
NR3C2 P08235 1/20 0.35
LMNA P02545 1/20 0.35
MAPT P10636 1/20 0.35
HPGD P15428 1/20 0.35
XIAP P98170 2/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
AURKA O14965 1/20 0.34
CCNA2 P20248 1/20 0.34
CDK2 P24941 1/20 0.34
CCNA1 P78396 1/20 0.34

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
SCHEMBL4510261 0.90 NPC1 (0.42) RIPK2TRPV4ALDH1A1SMN1; SMN2NPC1
SCHEMBL2143929 0.89 PIK3CG (0.44) TRPV4ALDH1A1NPC1RAB9APOLB
SCHEMBL4078512 0.86 KDM4E (0.37) TRPV4ALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL11942170 0.84 SMN1; SMN2 (0.43) TRPV4ALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL2143817 0.82 TRPV4 (0.37) TRPV4ALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL4515566 0.81 ACHE (0.40) ALDH1A1NPC1RAB9APOLBLMNA
SCHEMBL4083559 0.81 ABL1 (0.42) TRPV4ALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL4075021 0.81 ATM (0.37) TRPV4ALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL5556915 0.80 ALDH1A1 (0.41) TRPV4ALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL2143831 0.79 PIK3CG (0.46) ALDH1A1SMN1; SMN2NPC1RAB9ATP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7517995-B2 Thiazolyl-dihydro-cyclopentapyrazole BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-04-14 US claimed
US-20070238730-A1 THIAZOLYL-DIHYDRO-CYCLOPENTAPYRAZOLE BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-10-11 US claimed
US-8354418-B2 Thiazolyl-dihydro-quinazolines BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-01-15 US disclosed
US-20090131424-A1 THIAZOLYL-DIHYDRO-CHINAZOLINE BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-05-21 US disclosed
US-7517995-B2 Thiazolyl-dihydro-cyclopentapyrazole BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-04-14 US disclosed
US-20070259855-A1 THIAZOLYL-DIHYDRO-INDAZOLE BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-11-08 US disclosed
US-20070238746-A1 THIAZOLYL-DIHYDRO-CHINAZOLINE BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-10-11 US disclosed
US-20070238730-A1 THIAZOLYL-DIHYDRO-CYCLOPENTAPYRAZOLE BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-10-11 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 (4 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-20070259855-A1 THIAZOLYL-DIHYDRO-INDAZOLE ROR1, RORB, RORA RIPK2 1794/4885TRPV4 1709/4885ALDH1A1 60/4885
US-20070238746-A1 THIAZOLYL-DIHYDRO-CHINAZOLINE CYP3A7, UGT2B7, UGT1A7 RIPK2 2569/4885TRPV4 1339/4885ALDH1A1 165/4885
US-20090131424-A1 THIAZOLYL-DIHYDRO-CHINAZOLINE CYP3A7, UGT2B7, UGT1A7 RIPK2 2569/4885TRPV4 1339/4885ALDH1A1 165/4885
US-20070238730-A1 THIAZOLYL-DIHYDRO-CYCLOPENTAPYRAZOLE REN, ROR1, RORB RIPK2 3537/4885TRPV4 1433/4885ALDH1A1 115/4885

“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.