SCHEMBL87143

SCHEMBL87143

Cc1ccc(C(=O)NC2=Nc3ccccc3C3=NCCN23)s1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.41
NPC1 O15118 5/20 0.41
MEN1 O00255 5/20 0.41
KMT2A Q03164 5/20 0.41
RAB9A P51151 4/20 0.41
HPGD P15428 3/20 0.41
LMNA P02545 3/20 0.41
TP53 P04637 1/20 0.41
HSD17B10 Q99714 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.40
KDM4E B2RXH2 3/20 0.39
DNMT1 P26358 1/20 0.39
RAD52 P43351 1/20 0.39
UHRF1 Q96T88 1/20 0.39
L3MBTL1 Q9Y468 2/20 0.38
GAA P10253 1/20 0.37
MAPT P10636 3/20 0.36
HTT P42858 2/20 0.36
NPSR1 Q6W5P4 1/20 0.36
ALPL P05186 1/20 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
SCHEMBL86993 0.87 NPC1 (0.48) ALDH1A1NPC1MEN1KMT2ARAB9A
SCHEMBL86888 0.83 MITF (0.48) ALDH1A1NPC1MEN1KMT2ARAB9A
SCHEMBL86661 0.82 MAPT (0.48) ALDH1A1NPC1MEN1KMT2ARAB9A
SCHEMBL86897 0.81 DNMT1 (0.42) MEN1KMT2ADNMT1RAD52UHRF1
SCHEMBL87099 0.81 PTAFR (0.44) ALDH1A1NPC1MEN1KMT2ARAB9A
SCHEMBL86927 0.81 RAB9A (0.49) ALDH1A1NPC1MEN1KMT2ARAB9A
SCHEMBL86910 0.80 RAB9A (0.43) NPC1MEN1KMT2ARAB9AHPGD
SCHEMBL86871 0.80 PIK3CB (0.46) ALDH1A1NPC1MEN1KMT2ARAB9A
SCHEMBL86990 0.80 NPC1 (0.39) ALDH1A1NPC1MEN1KMT2ARAB9A
SCHEMBL86760 0.78 DNMT1 (0.40) ALDH1A1MEN1KMT2ADNMT1RAD52

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 11 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-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 ALDH1A1 4300/4885NPC1 4109/4885MEN1 2685/4885
US-20130184270-A1 SUBSTITUTED 2,3-DIHYDROIMIDAZO[1,2-C]QUINAZOLINE-CONTAINING COMBINATIONS KIT, CSNK2A1, CSNK1A1 ALDH1A1 798/4885NPC1 757/4885MEN1 1133/4885

“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.