SCHEMBL1781217

SCHEMBL1781217

CC(=O)Nc1nc2c(s1)C(O)=C(C(=O)c1ccc(Cl)nc1)CC2

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CG P48736 7/20 0.43
RAB9A P51151 7/20 0.41
NPC1 O15118 3/20 0.41
KMT2A Q03164 3/20 0.41
MEN1 O00255 2/20 0.41
POLB P06746 1/20 0.41
PIK3CD O00329 1/20 0.39
PIK3CA P42336 1/20 0.39
PIK3CB P42338 1/20 0.39
MAPT P10636 2/20 0.39
PKM P14618 1/20 0.39
ALDH1A1 P00352 2/20 0.38
BLM P54132 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
DYRK1A Q13627 1/20 0.35
FSCN1 Q16658 1/20 0.35

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
SCHEMBL1781491 0.88 PIK3CG (0.42) PIK3CGRAB9ANPC1POLBPIK3CD
SCHEMBL1783223 0.88 OGA (0.42) PIK3CGRAB9ANPC1POLBPIK3CD
SCHEMBL13690398 0.88 PIK3CA (0.43) PIK3CGPIK3CDPIK3CAPIK3CBMAPT
SCHEMBL1784359 0.87 HCAR3 (0.40) PIK3CGRAB9ANPC1POLBPIK3CD
SCHEMBL1118042 0.87 PIK3CG (0.38) PIK3CGRAB9ANPC1POLBPIK3CD
SCHEMBL1781135 0.86 PIK3CG (0.39) PIK3CGRAB9ANPC1KMT2AMEN1
SCHEMBL1782049 0.86 PIK3CG (0.38) PIK3CGRAB9ANPC1POLBPIK3CD
SCHEMBL1782298 0.86 PIK3CG (0.50) PIK3CGRAB9ANPC1KMT2AMEN1
SCHEMBL1783284 0.85 PIK3CG (0.37) PIK3CGRAB9ANPC1POLBPIK3CD
SCHEMBL1782452 0.85 HCAR3 (0.44) PIK3CGPIK3CDPIK3CAPIK3CBMAPT

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 PIK3CG 4280/4885RAB9A 2207/4885NPC1 136/4885
US-20110118208-A1 Thiazolyl-Dihydro-Indazoles MKI67, CYP11B1, IGF1R PIK3CG 4280/4885RAB9A 2207/4885NPC1 136/4885

“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.