SCHEMBL86993

SCHEMBL86993

O=C(NC1=Nc2ccccc2C2=NCCN12)c1ccc(Cl)s1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 7/20 0.48
RAB9A P51151 7/20 0.48
SMN1; SMN2 Q16637 6/20 0.48
TP53 P04637 2/20 0.48
KMT2A Q03164 8/20 0.44
MEN1 O00255 6/20 0.41
KDM4E B2RXH2 4/20 0.41
CASP3 P42574 1/20 0.41
SENP8 Q96LD8 1/20 0.41
SENP7 Q9BQF6 1/20 0.41
SENP6 Q9GZR1 1/20 0.41
ALDH1A1 P00352 8/20 0.40
HPGD P15428 6/20 0.40
STK33 Q9BYT3 1/20 0.39
LMNA P02545 4/20 0.39
MAPK1 P28482 2/20 0.39
SMARCA2 P51531 1/20 0.39
DNMT1 P26358 1/20 0.39
RAD52 P43351 1/20 0.39
UHRF1 Q96T88 1/20 0.39

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
SCHEMBL87143 0.87 ALDH1A1 (0.41) NPC1RAB9ASMN1; SMN2TP53KMT2A
SCHEMBL86888 0.83 MITF (0.48) NPC1RAB9ASMN1; SMN2TP53KMT2A
SCHEMBL86661 0.82 MAPT (0.48) NPC1RAB9ASMN1; SMN2KMT2AMEN1
SCHEMBL86942 0.81 NPC1 (0.44) NPC1RAB9ASMN1; SMN2TP53KMT2A
SCHEMBL87105 0.81 PTAFR (0.43) NPC1RAB9ASMN1; SMN2TP53KMT2A
SCHEMBL86665 0.80 CASP3 (0.42) CASP3SENP8SENP7SENP6ALDH1A1
SCHEMBL86871 0.80 PIK3CB (0.46) NPC1RAB9ASMN1; SMN2TP53KMT2A
SCHEMBL86754 0.80 ALDH1A1 (0.48) NPC1RAB9ASMN1; SMN2TP53KMT2A
SCHEMBL86994 0.80 SMARCA2 (0.43) KMT2AMEN1SMARCA2DNMT1RAD52
SCHEMBL86728 0.80 L3MBTL1 (0.43) NPC1RAB9ASMN1; SMN2KMT2AMEN1

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 9 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
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

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 NPC1 4109/4885RAB9A 1543/4885SMN1; SMN2 3659/4885
US-20130184270-A1 SUBSTITUTED 2,3-DIHYDROIMIDAZO[1,2-C]QUINAZOLINE-CONTAINING COMBINATIONS KIT, CSNK2A1, CSNK1A1 NPC1 757/4885RAB9A 2541/4885SMN1; SMN2 1755/4885

“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.