SCHEMBL86994

SCHEMBL86994

O=C(NC1=Nc2ccccc2C2=NCCN12)c1cc(Cl)cc(Cl)c1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SMARCA2 P51531 1/20 0.43
DRD2 P14416 1/20 0.41
DRD1 P21728 1/20 0.41
MAPT P10636 1/20 0.39
PTAFR P25105 6/20 0.38
DNMT1 P26358 1/20 0.37
RAD52 P43351 1/20 0.37
UHRF1 Q96T88 1/20 0.37
EED O75530 1/20 0.37
DCAF15 Q66K64 1/20 0.37
PIK3CB P42338 1/20 0.37
PIK3CG P48736 1/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
ACLY P53396 2/20 0.36

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
SCHEMBL87107 0.91 MEN1 (0.47) SMARCA2DRD2DRD1MAPTPTAFR
SCHEMBL86942 0.90 NPC1 (0.44) SMARCA2DRD2DRD1MAPTPTAFR
SCHEMBL86871 0.87 PIK3CB (0.46) MAPTPTAFRDNMT1RAD52UHRF1
SCHEMBL86990 0.86 NPC1 (0.39) SMARCA2PTAFRDNMT1RAD52UHRF1
SCHEMBL86998 0.84 SMN1; SMN2 (0.47) MAPTPTAFRMEN1KMT2A
SCHEMBL87019 0.84 HTT (0.43) MAPTPTAFRDNMT1RAD52UHRF1
SCHEMBL86842 0.84 MEN1 (0.39) MAPTPTAFRDNMT1RAD52UHRF1
SCHEMBL86886 0.84 SMN1; SMN2 (0.47) MAPTMEN1KMT2A
SCHEMBL86840 0.83 SMN1; SMN2 (0.41) MAPTPTAFRDNMT1RAD52UHRF1
SCHEMBL87360 0.83 TDP1 (0.44) MAPTPTAFRDNMT1RAD52UHRF1

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 SMARCA2 3813/4885DRD2 3432/4885DRD1 3563/4885
US-20130184270-A1 SUBSTITUTED 2,3-DIHYDROIMIDAZO[1,2-C]QUINAZOLINE-CONTAINING COMBINATIONS KIT, CSNK2A1, CSNK1A1 SMARCA2 3146/4885DRD2 3127/4885DRD1 2947/4885

“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.