SCHEMBL86754

SCHEMBL86754

O=C(NC1=Nc2ccccc2C2=NCCN12)c1csnn1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.48
ATM Q13315 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
LMNA P02545 2/20 0.41
RAB9A P51151 2/20 0.40
CYP2D6 P10635 3/20 0.40
CYP2C19 P33261 2/20 0.40
TSHR P16473 1/20 0.40
THRB P10828 2/20 0.40
MAPT P10636 6/20 0.39
HPGD P15428 3/20 0.39
TP53 P04637 2/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
NPC1 O15118 1/20 0.39
POLB P06746 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
CYP1A2 P05177 1/20 0.38
DNMT1 P26358 1/20 0.37
RAD52 P43351 1/20 0.37

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
SCHEMBL86728 0.86 L3MBTL1 (0.43) ALDH1A1L3MBTL1LMNARAB9ACYP2C19
SCHEMBL86883 0.82 ALDH1A1 (0.47) ALDH1A1RAB9ACYP2C19TSHRMAPT
SCHEMBL86871 0.82 PIK3CB (0.46) ALDH1A1RAB9AMAPTTP53MEN1
SCHEMBL87313 0.81 EPHX2 (0.44) HPGDDNMT1RAD52UHRF1
SCHEMBL86897 0.81 DNMT1 (0.42) MEN1KMT2ADNMT1RAD52UHRF1
SCHEMBL86942 0.81 NPC1 (0.44) ALDH1A1LMNARAB9ACYP2D6CYP2C19
SCHEMBL87105 0.81 PTAFR (0.43) ALDH1A1L3MBTL1LMNARAB9ACYP2C19
SCHEMBL86761 0.80 DNMT1 (0.40) ALDH1A1ATML3MBTL1MAPTHPGD
SCHEMBL86885 0.80 ALDH1A1 (0.47) ALDH1A1L3MBTL1LMNARAB9AMAPT
SCHEMBL86993 0.80 NPC1 (0.48) ALDH1A1L3MBTL1LMNARAB9AMAPT

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 4300/4885ATM 494/4885L3MBTL1 3991/4885
US-20130184270-A1 SUBSTITUTED 2,3-DIHYDROIMIDAZO[1,2-C]QUINAZOLINE-CONTAINING COMBINATIONS KIT, CSNK2A1, CSNK1A1 ALDH1A1 798/4885ATM 1724/4885L3MBTL1 3744/4885

“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.