SCHEMBL86801

SCHEMBL86801

CC(=O)Nc1ccc(/C(O)=C/C2=Nc3c(C)cc(Br)cc3C3=NCCN23)cn1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F10 P00742 3/20 0.33
RXFP1 Q9HBX9 1/20 0.32
NPC1 O15118 3/20 0.32
RAB9A P51151 3/20 0.32
GRIN2B Q13224 1/20 0.32
HPGD P15428 1/20 0.32
TP53 P04637 1/20 0.31
MAPK1 P28482 1/20 0.31
POLB P06746 2/20 0.31
ALDH1A1 P00352 2/20 0.31
PTK2 Q05397 1/20 0.31
TSHR P16473 1/20 0.31
HDAC4 P56524 1/20 0.31
HDAC7 Q8WUI4 1/20 0.31
HDAC8 Q9BY41 1/20 0.31
HDAC5 Q9UQL6 1/20 0.31
KIT P10721 1/20 0.31
KDR P35968 1/20 0.31
MAPK14 Q16539 1/20 0.31
MEN1 O00255 1/20 0.31

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
SCHEMBL82552 0.89 F10 (0.33) F10RXFP1NPC1RAB9AGRIN2B
SCHEMBL82553 0.89 F10 (0.33) F10RXFP1NPC1RAB9AGRIN2B
SCHEMBL86703 0.88 PIK3CB (0.35) F10RAB9AGRIN2BHPGDALDH1A1
SCHEMBL86681 0.83 ADORA3 (0.32) F10GRIN2BPTK2KITKDR
SCHEMBL82551 0.83 THRB (0.33) F10RXFP1NPC1RAB9ATP53
SCHEMBL87151 0.81 PIK3CB (0.38) F10NPC1RAB9AGRIN2BALDH1A1
SCHEMBL87168 0.81 GRIN2B (0.34) F10GRIN2BALDH1A1PTK2PIK3CB
SCHEMBL82216 0.80 FGFR3 (0.34) F10RXFP1NPC1RAB9AGRIN2B
SCHEMBL86413 0.79 MET (0.36) F10NPC1RAB9ATP53ALDH1A1
SCHEMBL86751 0.77 F10 (0.39) F10MAPK14

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-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
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 F10 2878/4885RXFP1 3168/4885NPC1 4109/4885
US-20130184270-A1 SUBSTITUTED 2,3-DIHYDROIMIDAZO[1,2-C]QUINAZOLINE-CONTAINING COMBINATIONS KIT, CSNK2A1, CSNK1A1 F10 3543/4885RXFP1 3928/4885NPC1 757/4885

“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.