SCHEMBL86797

SCHEMBL86797

COc1cc(OC)c2c(c1)C1=NCCN1C(/C=C(\O)c1cccnc1)=N2

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.42
ALDH1A1 P00352 2/20 0.37
TSHR P16473 2/20 0.37
POLB P06746 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
GFER P55789 2/20 0.35
HDAC8 Q9BY41 2/20 0.35
HDAC4 P56524 1/20 0.35
RECQL P46063 1/20 0.34
HIF1A Q16665 1/20 0.34
EGFR P00533 1/20 0.34
PDGFRB P09619 1/20 0.34
PDGFRA P16234 1/20 0.34
ABL1 P00519 1/20 0.34
BCR P11274 1/20 0.34
KDM4E B2RXH2 1/20 0.34
PTAFR P25105 2/20 0.33
FKBP1A P62942 1/20 0.33

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
SCHEMBL86815 0.88 PTAFR (0.37) TDP1ALDH1A1TSHRGFERPTAFR
SCHEMBL86656 0.85 CYP1A1 (0.36) TDP1ALDH1A1POLBSMN1; SMN2RECQL
SCHEMBL86455 0.85 TDP1 (0.41) TDP1ALDH1A1TSHRPOLBSMN1; SMN2
SCHEMBL82158 0.84 CYP1A1 (0.39) TDP1ALDH1A1TSHRPOLBSMN1; SMN2
SCHEMBL82157 0.84 CYP1A1 (0.39) TDP1ALDH1A1TSHRPOLBSMN1; SMN2
SCHEMBL86657 0.84 CYP1A1 (0.39) TDP1ALDH1A1TSHRPOLBSMN1; SMN2
SCHEMBL29475061 0.84 CYP1A1 (0.39) TDP1ALDH1A1TSHRPOLBSMN1; SMN2
SCHEMBL81928 0.84 POLB (0.38) TDP1ALDH1A1POLBSMN1; SMN2RECQL
SCHEMBL81929 0.84 POLB (0.38) TDP1ALDH1A1POLBSMN1; SMN2RECQL
SCHEMBL29475063 0.84 POLB (0.38) TDP1ALDH1A1POLBSMN1; SMN2RECQL

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 TDP1 1233/4885ALDH1A1 4300/4885TSHR 582/4885
US-20130184270-A1 SUBSTITUTED 2,3-DIHYDROIMIDAZO[1,2-C]QUINAZOLINE-CONTAINING COMBINATIONS KIT, CSNK2A1, CSNK1A1 TDP1 2149/4885ALDH1A1 798/4885TSHR 3515/4885

“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.