SCHEMBL87060

SCHEMBL87060

COc1cccc2c1N=C(NC(=O)c1cnccc1C)N1CCN=C21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.40
JAK2 O60674 1/20 0.40
KMT2A Q03164 2/20 0.38
TSHR P16473 2/20 0.38
KCNK3 O14649 1/20 0.38
KCNK9 Q9NPC2 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.37
MEN1 O00255 1/20 0.37
RAB9A P51151 1/20 0.37
LCK P06239 1/20 0.36
KDR P35968 1/20 0.36
MAPK14 Q16539 1/20 0.36
GFER P55789 2/20 0.36
ALDH1A1 P00352 1/20 0.36
RXFP1 Q9HBX9 1/20 0.35
MAPT P10636 1/20 0.35
CHRNA7 P36544 1/20 0.35
ACKR3 P25106 1/20 0.35
SGMS2 Q8NHU3 1/20 0.35
POLQ O75417 1/20 0.35

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
SCHEMBL86866 0.88 MAPT (0.46) POLBJAK2ALDH1A1MAPT
SCHEMBL83347 0.86 MAPT (0.50) POLBTSHRSMN1; SMN2ALDH1A1MAPT
SCHEMBL86828 0.86 KMT2A (0.40) POLBJAK2KMT2ATSHRKCNK3
SCHEMBL87050 0.83 GAA (0.43) POLBJAK2KMT2ASMN1; SMN2MEN1
SCHEMBL86615 0.82 TYK2 (0.38) POLBKMT2ASMN1; SMN2MAPTACKR3
SCHEMBL19328643 0.81 PTAFR (0.37) POLBKMT2ASMN1; SMN2MEN1RAB9A
SCHEMBL82489 0.80 CCNC (0.39) POLBKMT2ATSHRSMN1; SMN2MEN1
SCHEMBL29475025 0.80 CCNC (0.39) POLBKMT2ATSHRSMN1; SMN2MEN1
SCHEMBL86829 0.80 KMT2A (0.39) POLBKMT2ATSHRKCNK3KCNK9
SCHEMBL86605 0.79 KDM4E (0.41) KMT2AMEN1KDRMAPK14MAPT

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 10 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-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 POLB 1757/4885JAK2 49/4885KMT2A 4598/4885
US-20130184270-A1 SUBSTITUTED 2,3-DIHYDROIMIDAZO[1,2-C]QUINAZOLINE-CONTAINING COMBINATIONS KIT, CSNK2A1, CSNK1A1 POLB 1015/4885JAK2 110/4885KMT2A 1309/4885

“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.