SCHEMBL86571

SCHEMBL86571

COc1cc2c(cc1OC)C1=NCCN1C(NC(=O)c1cn[nH]c1)=N2

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.36
ADORA2B P29275 1/20 0.36
ROCK2 O75116 13/20 0.35
ROCK1 Q13464 10/20 0.35
KDM4E B2RXH2 1/20 0.34
KMT2A Q03164 1/20 0.34
HSD17B10 Q99714 1/20 0.34
PTAFR P25105 1/20 0.34
MAPT P10636 1/20 0.34
HPGDS O60760 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
SCHEMBL86906 0.85 KDM4E (0.42) SMN1; SMN2KDM4EKMT2AHSD17B10PTAFR
SCHEMBL86565 0.84 ACKR3 (0.39) SMN1; SMN2KDM4EKMT2A
SCHEMBL82555 0.84 SMN1; SMN2 (0.35) SMN1; SMN2KDM4EKMT2AHSD17B10PTAFR
SCHEMBL86774 0.84 PTAFR (0.38) SMN1; SMN2KDM4EKMT2AHSD17B10PTAFR
SCHEMBL86830 0.83 MAPT (0.38) SMN1; SMN2KDM4EKMT2AMAPT
SCHEMBL86984 0.83 KDM4E (0.48) SMN1; SMN2KDM4EKMT2AMAPT
SCHEMBL86908 0.81 KMT2A (0.36) SMN1; SMN2KDM4EKMT2AHSD17B10PTAFR
SCHEMBL86563 0.81 MAPT (0.39) SMN1; SMN2KMT2AMAPT
SCHEMBL86832 0.80 POLB (0.42) KDM4EKMT2AMAPT
SCHEMBL86803 0.79 KMT2A (0.49) SMN1; SMN2KMT2AMAPT

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 SMN1; SMN2 3659/4885ADORA2B 572/4885ROCK2 227/4885
US-20130184270-A1 SUBSTITUTED 2,3-DIHYDROIMIDAZO[1,2-C]QUINAZOLINE-CONTAINING COMBINATIONS KIT, CSNK2A1, CSNK1A1 SMN1; SMN2 1755/4885ADORA2B 743/4885ROCK2 3673/4885

“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.