SCHEMBL87019

SCHEMBL87019

O=C(NC1=Nc2ccccc2C2=NCCN12)c1ccncc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.43
PTAFR P25105 1/20 0.43
LMNA P02545 2/20 0.42
KDM4E B2RXH2 2/20 0.42
TDP1 Q9NUW8 1/20 0.42
ABCG2 Q9UNQ0 1/20 0.41
GAA P10253 3/20 0.40
ALDH1A1 P00352 3/20 0.40
KMT2A Q03164 2/20 0.40
MAPT P10636 2/20 0.40
TYK2 P29597 2/20 0.40
MEN1 O00255 1/20 0.40
APAF1 O14727 1/20 0.40
NSD2 O96028 1/20 0.40
CASP6 P55212 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40
JAK2 O60674 1/20 0.40
RAB9A P51151 2/20 0.39
KCNK3 O14649 1/20 0.39
DNMT1 P26358 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
SCHEMBL86871 0.91 PIK3CB (0.46) HTTPTAFRKDM4EABCG2GAA
SCHEMBL86842 0.88 MEN1 (0.39) PTAFRLMNAKDM4ETDP1ABCG2
SCHEMBL82510 0.87 HDAC1 (0.45) HTTPTAFRLMNAKDM4EABCG2
SCHEMBL87099 0.87 PTAFR (0.44) PTAFRLMNAKDM4EABCG2GAA
SCHEMBL87360 0.87 TDP1 (0.44) HTTPTAFRLMNAKDM4ETDP1
SCHEMBL86942 0.87 NPC1 (0.44) PTAFRLMNAKDM4EALDH1A1KMT2A
Hydrochloric Acid SCHEMBL80801 0.86 HDAC1 (0.44) HTTPTAFRLMNAKDM4EABCG2
SCHEMBL12533693 0.85 DNMT1 (0.36) PTAFRKDM4EKMT2AMAPTMEN1
SCHEMBL86725 0.85 MEN1 (0.41) HTTPTAFRGAAALDH1A1KMT2A
SCHEMBL87126 0.85 KCNK3 (0.43) LMNAKDM4ETDP1GAAALDH1A1

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 HTT 2034/4885PTAFR 119/4885LMNA 4764/4885
US-20130184270-A1 SUBSTITUTED 2,3-DIHYDROIMIDAZO[1,2-C]QUINAZOLINE-CONTAINING COMBINATIONS KIT, CSNK2A1, CSNK1A1 HTT 3020/4885PTAFR 1757/4885LMNA 1290/4885

“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.