SCHEMBL86910

SCHEMBL86910

Cc1ccsc1C(=O)NC1=Nc2ccccc2C2=NCCN12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 8/20 0.43
NPC1 O15118 7/20 0.43
PPARG P37231 1/20 0.43
NCOR2 Q9Y618 1/20 0.43
NAMPT P43490 1/20 0.42
GRM1 Q13255 1/20 0.41
POLB P06746 2/20 0.41
PKM P14618 3/20 0.40
GFER P55789 1/20 0.39
HPGD P15428 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
PTAFR P25105 1/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
HTT P42858 1/20 0.38
TP53 P04637 1/20 0.38
NFKB1 P19838 1/20 0.38
NFKB2 Q00653 1/20 0.38
RELA Q04206 1/20 0.38
MAPT P10636 1/20 0.38

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
SCHEMBL86665 0.87 CASP3 (0.42) GRM1PKMPTAFRMAPTGAA
SCHEMBL86927 0.83 RAB9A (0.49) RAB9ANPC1SMN1; SMN2MEN1KMT2A
SCHEMBL87079 0.83 CASP3 (0.41) RAB9ANPC1SMN1; SMN2PTAFRGAA
SCHEMBL86661 0.82 MAPT (0.48) RAB9ANPC1GFERSMN1; SMN2PTAFR
SCHEMBL86897 0.81 DNMT1 (0.42) PTAFRMEN1KMT2AHDAC8
SCHEMBL87099 0.81 PTAFR (0.44) RAB9ANPC1POLBHPGDSMN1; SMN2
SCHEMBL87143 0.80 ALDH1A1 (0.41) RAB9ANPC1HPGDSMN1; SMN2PTAFR
SCHEMBL86871 0.80 PIK3CB (0.46) RAB9ANPC1POLBPKMSMN1; SMN2
SCHEMBL86990 0.80 NPC1 (0.39) RAB9ANPC1POLBSMN1; SMN2PTAFR
SCHEMBL86615 0.80 TYK2 (0.38) POLBSMN1; SMN2PTAFRKMT2AHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130184270-A1 SUBSTITUTED 2,3-DIHYDROIMIDAZO[1,2-C]QUINAZOLINE-CONTAINING COMBINATIONS BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-07-18 US disclosed
US-8129386-B2 Fused azole-pyrimidine derivatives BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-03-06 US disclosed
US-8129386-B2 Fused azole-pyrimidine derivatives BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-03-06 US disclosed
EP-2042504-B1 Fused azole-pyrimidine derivatives BAYER SCHERING PHARMA AG (DE) 2011-06-01 EP disclosed
US-20090270388-A1 FUSED AZOLE-PYRIMIDINE DERIVATIVES BAYER PHARMACEUTICALS CORPORATION (US) 2009-10-29 US disclosed
US-20090270388-A1 FUSED AZOLE-PYRIMIDINE DERIVATIVES BAYER PHARMACEUTICALS CORPORATION (US) 2009-10-29 US disclosed
EP-2042504-A1 Fused azole-pyrimidine derivatives Bayer HealthCare AG (DE) 2009-04-01 EP disclosed
US-7511041-B2 Fused azole-pyrimidine derivatives BAYER PHARMACEUTICALS CORPORATION (US) 2009-03-31 US disclosed
US-7511041-B2 Fused azole-pyrimidine derivatives BAYER PHARMACEUTICALS CORPORATION (US) 2009-03-31 US disclosed
EP-1549652-B1 FUSED AZOLE-PYRIMIDINE DERIVATIVES BAYER HEALTHCARE AG (DE) 2008-10-22 EP 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-20090270388-A1 FUSED AZOLE-PYRIMIDINE DERIVATIVES PIK3CA, PIK3CD, PIK3R5 RAB9A 1543/4885NPC1 4109/4885PPARG 939/4885
US-20130184270-A1 SUBSTITUTED 2,3-DIHYDROIMIDAZO[1,2-C]QUINAZOLINE-CONTAINING COMBINATIONS KIT, CSNK2A1, CSNK1A1 RAB9A 2541/4885NPC1 757/4885PPARG 3086/4885

“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.