SCHEMBL86948

SCHEMBL86948

COc1cccc2c1N=C(NC(=O)c1ccc3[nH]cnc3c1)N1CCN=C21

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
MEN1 O00255 1/20 0.43
POLB P06746 9/20 0.41
MAPT P10636 5/20 0.40
KDM4E B2RXH2 4/20 0.40
TDP1 Q9NUW8 3/20 0.40
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
GAA P10253 1/20 0.38
PKM P14618 1/20 0.38
HSD11B1 P28845 4/20 0.38
ACACB O00763 1/20 0.38
F2 P00734 1/20 0.37
HTT P42858 1/20 0.37

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
SCHEMBL82997 0.90 POLB (0.47) KMT2AL3MBTL1MEN1POLBMAPT
SCHEMBL82578 0.89 KDM4E (0.42) KMT2AL3MBTL1MEN1POLBMAPT
SCHEMBL86826 0.89 NPC1 (0.40) KMT2AL3MBTL1MEN1POLBTDP1
SCHEMBL86593 0.87 POLB (0.39) KMT2AL3MBTL1MEN1POLBTDP1
SCHEMBL82242 0.87 POLB (0.41) KMT2AMEN1POLBMAPTTDP1
SCHEMBL86832 0.86 POLB (0.42) KMT2AL3MBTL1MEN1POLBMAPT
SCHEMBL86850 0.86 POLB (0.40) KMT2AL3MBTL1MEN1POLBMAPT
SCHEMBL82582 0.85 NPC1 (0.40) KMT2AMEN1POLBMAPTTDP1
SCHEMBL82211 0.82 NPC1 (0.46) KMT2AL3MBTL1MEN1POLBMAPT
SCHEMBL82844 0.82 KMT2A (0.46) KMT2AL3MBTL1MEN1POLBMAPT

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 KMT2A 4598/4885L3MBTL1 3991/4885MEN1 2685/4885
US-20130184270-A1 SUBSTITUTED 2,3-DIHYDROIMIDAZO[1,2-C]QUINAZOLINE-CONTAINING COMBINATIONS KIT, CSNK2A1, CSNK1A1 KMT2A 1309/4885L3MBTL1 3744/4885MEN1 1133/4885

“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.