SCHEMBL10103042

SCHEMBL10103042

CCSC(=O)Nc1nc2c(s1)C(=O)C(C(=O)c1cccnc1)CC2

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.42
ALDH1A1 P00352 5/20 0.42
NPC1 O15118 4/20 0.42
KMT2A Q03164 3/20 0.42
MEN1 O00255 2/20 0.42
SMN1; SMN2 Q16637 3/20 0.40
PIK3CG P48736 1/20 0.39
TP53 P04637 2/20 0.38
POLB P06746 3/20 0.37
KDM4E B2RXH2 4/20 0.37
MAPT P10636 2/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
ADORA3 P0DMS8 2/20 0.36
ADORA1 P30542 2/20 0.36
CHRM5 P08912 1/20 0.36
HTR2A P28223 1/20 0.36
HTR2C P28335 1/20 0.36
ADORA2A P29274 1/20 0.36
ADORA2B P29275 1/20 0.36
ROCK2 O75116 2/20 0.36

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
SCHEMBL14365580 0.89 ALDH1A1 (0.45) RAB9AALDH1A1NPC1KMT2AMEN1
SCHEMBL10103045 0.89 ALDH1A1 (0.34) RAB9AALDH1A1NPC1KMT2AMEN1
SCHEMBL798617 0.86 PIK3CG (0.49) RAB9AALDH1A1NPC1KMT2AMEN1
SCHEMBL3273645 0.85 ALDH1A1 (0.47) RAB9AALDH1A1NPC1KMT2AMEN1
SCHEMBL10103040 0.85 ALDH1A1 (0.45) RAB9AALDH1A1NPC1KMT2AMEN1
SCHEMBL10111227 0.85 ALDH1A1 (0.45) RAB9AALDH1A1NPC1KMT2AMEN1
SCHEMBL3277195 0.84 ALDH1A1 (0.47) RAB9AALDH1A1NPC1KMT2AMEN1
SCHEMBL3277199 0.84 ALDH1A1 (0.46) RAB9AALDH1A1NPC1KMT2AMEN1
SCHEMBL14365583 0.83 NPC1 (0.39) RAB9AALDH1A1NPC1KMT2AMEN1
SCHEMBL691247 0.79 RAB9A (0.38) RAB9AALDH1A1NPC1KMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8207349-B2 Thiazolyl-dihydro-indazoles BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-06-26 US disclosed
US-8207349-B2 Thiazolyl-dihydro-indazoles BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-06-26 US disclosed
US-20100113414-A1 THIAZOLYL-DIHYDRO-INDAZOLES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-05-06 US disclosed
US-20100113414-A1 THIAZOLYL-DIHYDRO-INDAZOLES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-05-06 US disclosed
US-7691888-B2 Thiazolyl-dihydro-indazole BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-04-06 US disclosed
US-7691888-B2 Thiazolyl-dihydro-indazole BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-04-06 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 (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-20100113414-A1 THIAZOLYL-DIHYDRO-INDAZOLES MKI67, CYP11B1, IGF1R RAB9A 2131/4885ALDH1A1 41/4885NPC1 118/4885

“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.