SCHEMBL87067

SCHEMBL87067

O=C(NC1=Nc2cc(C(F)(F)F)ccc2C2=NCCN12)c1cccs1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRPK1 Q96SB4 1/20 0.49
MAPT P10636 7/20 0.46
KDM4E B2RXH2 4/20 0.46
POLB P06746 2/20 0.46
RXFP1 Q9HBX9 1/20 0.44
KMT2A Q03164 3/20 0.42
MEN1 O00255 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
TRPA1 O75762 8/20 0.42
LMNA P02545 3/20 0.42
GAA P10253 2/20 0.42
HTT P42858 1/20 0.42
ABL1 P00519 2/20 0.41
MAPK1 P28482 2/20 0.41
NPSR1 Q6W5P4 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
ALDH1A1 P00352 1/20 0.40
ABCB1 P08183 1/20 0.40
HPGD P15428 1/20 0.40
ABCG2 Q9UNQ0 1/20 0.40

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
SCHEMBL86915 0.85 NPSR1 (0.50) MAPTKDM4EKMT2AMEN1SMN1; SMN2
SCHEMBL86896 0.85 SMN1; SMN2 (0.46) MAPTKDM4EPOLBKMT2AMEN1
SCHEMBL86661 0.84 MAPT (0.48) MAPTKMT2AMEN1SMN1; SMN2LMNA
SCHEMBL12533812 0.82 KMT2A (0.44) MAPTKDM4EPOLBKMT2AMEN1
SCHEMBL86807 0.81 TSHR (0.50) SRPK1MAPTPOLBRXFP1KMT2A
SCHEMBL87026 0.80 LMNA (0.47) MAPTKDM4EKMT2AMEN1SMN1; SMN2
SCHEMBL87162 0.80 MEN1 (0.44) MAPTPOLBKMT2AMEN1SMN1; SMN2
SCHEMBL86803 0.79 KMT2A (0.49) MAPTPOLBRXFP1KMT2AMEN1
SCHEMBL82044 0.79 CCNC (0.41) SRPK1POLBRXFP1KMT2AMEN1
SCHEMBL87157 0.78 KMT2A (0.42) MAPTKDM4EKMT2AMEN1SMN1; SMN2

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 SRPK1 1292/4885MAPT 2333/4885KDM4E 3603/4885
US-20130184270-A1 SUBSTITUTED 2,3-DIHYDROIMIDAZO[1,2-C]QUINAZOLINE-CONTAINING COMBINATIONS KIT, CSNK2A1, CSNK1A1 SRPK1 1709/4885MAPT 3803/4885KDM4E 4518/4885

“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.