SCHEMBL86894

SCHEMBL86894

O=C(COc1ccccc1)NC1=Nc2ccccc2C2=NCCN12

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.49
TSHR P16473 3/20 0.45
NPSR1 Q6W5P4 3/20 0.45
LMNA P02545 2/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
GAA P10253 2/20 0.44
NPC1 O15118 4/20 0.42
RAB9A P51151 3/20 0.42
HSD17B10 Q99714 1/20 0.41
NOTUM Q6P988 1/20 0.40
ALPL P05186 1/20 0.40
TP53 P04637 1/20 0.40
THRB P10828 1/20 0.40
HPGD P15428 1/20 0.40
ALDH1A1 P00352 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
SCHEMBL86758 0.83 PTAFR (0.41) SMN1; SMN2TSHRGAANPC1RAB9A
SCHEMBL86871 0.80 PIK3CB (0.46) SMN1; SMN2NPSR1GAANPC1RAB9A
SCHEMBL86893 0.79 KCNQ2 (0.49) SMN1; SMN2L3MBTL1GAANPC1RAB9A
SCHEMBL86897 0.79 DNMT1 (0.42)
SCHEMBL86728 0.77 L3MBTL1 (0.43) SMN1; SMN2LMNAL3MBTL1GAANPC1
SCHEMBL87015 0.77 POLB (0.44) SMN1; SMN2LMNAL3MBTL1GAANPC1
SCHEMBL87108 0.76 GAA (0.47) SMN1; SMN2GAANPC1RAB9ATP53
SCHEMBL86901 0.76 DNMT1 (0.40) SMN1; SMN2TSHRLMNAGAANPC1
SCHEMBL87153 0.76 DNMT1 (0.40) NPSR1HSD17B10TP53ALDH1A1
SCHEMBL86842 0.75 MEN1 (0.39) SMN1; SMN2LMNAL3MBTL1NPC1RAB9A

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 SMN1; SMN2 3659/4885TSHR 582/4885NPSR1 2805/4885
US-20130184270-A1 SUBSTITUTED 2,3-DIHYDROIMIDAZO[1,2-C]QUINAZOLINE-CONTAINING COMBINATIONS KIT, CSNK2A1, CSNK1A1 SMN1; SMN2 1755/4885TSHR 3515/4885NPSR1 499/4885

“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.