SCHEMBL86864

SCHEMBL86864

O=C(NC1=Nc2cc(OCC(=O)N3CCOCC3)ccc2C2=NCCN12)c1cccnc1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.48
CYP3A4 P08684 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
ALDH1A1 P00352 3/20 0.45
PDK2 Q15119 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
TP53 P04637 2/20 0.41
NPC1 O15118 1/20 0.41
GAA P10253 1/20 0.41
FKBP1A P62942 3/20 0.41

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
SCHEMBL86858 0.88 MAPT (0.43) CYP3A4CYP2C9CYP2C19MEN1KMT2A
SCHEMBL86859 0.88 GAA (0.47) MEN1KMT2ASMN1; SMN2TP53GAA
SCHEMBL86863 0.87 MAPT (0.43) HTTCYP3A4CYP2C9CYP2C19MEN1
SCHEMBL87090 0.86 RAB9A (0.40) CYP3A4CYP2C9CYP2C19MEN1KMT2A
SCHEMBL86672 0.85 KMT2A (0.40) CYP3A4CYP2C9CYP2C19MEN1KMT2A
SCHEMBL2258924 0.84 GAA (0.43) MEN1KMT2AALDH1A1SMN1; SMN2TP53
SCHEMBL86977 0.83 RAB9A (0.38) CYP3A4CYP2C9CYP2C19MEN1KMT2A
SCHEMBL83770 0.82 TSHR (0.51) MEN1KMT2AALDH1A1SMN1; SMN2NPC1
SCHEMBL86512 0.82 SMN1; SMN2 (0.58) HTTMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL81609 0.82 MAPT (0.38) CYP3A4CYP2C9CYP2C19MEN1KMT2A

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 HTT 2034/4885CYP3A4 2448/4885CYP2C9 2177/4885
US-20130184270-A1 SUBSTITUTED 2,3-DIHYDROIMIDAZO[1,2-C]QUINAZOLINE-CONTAINING COMBINATIONS KIT, CSNK2A1, CSNK1A1 HTT 3020/4885CYP3A4 1122/4885CYP2C9 616/4885

“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.