SCHEMBL1783367

SCHEMBL1783367

CCNc1ccc(C(=O)C2=C(O)c3sc(NC(=O)CCCN(C)C)nc3CC2)cn1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR3 P49019 3/20 0.37
ACHE P22303 2/20 0.33
P2RX7 Q99572 2/20 0.33
GRIN2B Q13224 1/20 0.33
DEGS1 O15121 1/20 0.32
SMN1; SMN2 Q16637 5/20 0.32
RAB9A P51151 3/20 0.32
NPC1 O15118 3/20 0.32
THRB P10828 2/20 0.31
THRA P10827 1/20 0.31
MAPT P10636 4/20 0.31
HTT P42858 3/20 0.31
TSHR P16473 1/20 0.31
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
HPGD P15428 1/20 0.31
PAX8 Q06710 1/20 0.31
MAPK10 P53779 1/20 0.31
PIK3CD O00329 1/20 0.30

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
SCHEMBL1780133 0.90 HCAR3 (0.39) HCAR3SMN1; SMN2RAB9ANPC1THRB
SCHEMBL1117909 0.89 EPHX2 (0.39) HCAR3SMN1; SMN2RAB9ANPC1PIK3CD
SCHEMBL1781560 0.87 PIK3CA (0.36) ACHEP2RX7GRIN2BSMN1; SMN2RAB9A
SCHEMBL1117967 0.87 LCK (0.37) HCAR3PIK3CGPI4KBMAPK1
SCHEMBL1783498 0.85 HCAR3 (0.43) HCAR3SMN1; SMN2RAB9ANPC1MAPT
SCHEMBL1117865 0.84 HCAR3 (0.42) HCAR3SMN1; SMN2RAB9ANPC1ALDH1A1
SCHEMBL1117941 0.84 HCAR3 (0.41) HCAR3SMN1; SMN2RAB9ANPC1PIK3CG
SCHEMBL1117883 0.84 HCAR3 (0.41) HCAR3SMN1; SMN2RAB9ANPC1ALDH1A1
SCHEMBL1783723 0.83 OGA (0.34) HCAR3PIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL1117879 0.82 HCAR3 (0.40) HCAR3SMN1; SMN2RAB9ANPC1ALDH1A1

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-8304556-B2 Thiazolyl-dihydro-indazoles BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-11-06 US disclosed
US-8304556-B2 Thiazolyl-dihydro-indazoles BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-11-06 US disclosed
US-20120108567-A1 Thiazolyl-Dihydro-Indazoles BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-05-03 US disclosed
US-20120108567-A1 Thiazolyl-Dihydro-Indazoles BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-05-03 US disclosed
US-20110118208-A1 Thiazolyl-Dihydro-Indazoles BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-05-19 US disclosed
US-20110118208-A1 Thiazolyl-Dihydro-Indazoles BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-05-19 US disclosed
CN-102015728-A Thiazolyl-dihydro-indazoles BOEHRINGER INGELHEIM INT 2011-04-13 CN disclosed
WO-2009112565-A1 THIAZOLYL-DIHYDRO-INDAZOLES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-09-17 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-20120108567-A1 Thiazolyl-Dihydro-Indazoles MKI67, CYP11B1, IGF1R HCAR3 2774/4885ACHE 3566/4885P2RX7 1923/4885
US-20110118208-A1 Thiazolyl-Dihydro-Indazoles MKI67, CYP11B1, IGF1R HCAR3 2774/4885ACHE 3566/4885P2RX7 1923/4885

“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.