SCHEMBL86977

SCHEMBL86977

O=C(NC1=Nc2cc(OCCOCCO)ccc2C2=NCCN12)c1cccnc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.38
MAPT P10636 4/20 0.38
NPC1 O15118 4/20 0.38
SMN1; SMN2 Q16637 4/20 0.38
CYP3A4 P08684 3/20 0.38
CYP2C19 P33261 2/20 0.38
CYP2C9 P11712 1/20 0.38
TSHR P16473 2/20 0.37
KDM4E B2RXH2 1/20 0.37
MAPK1 P28482 1/20 0.37
HDAC1 Q13547 1/20 0.37
KMT2A Q03164 4/20 0.36
KDR P35968 1/20 0.36
ALDH1A1 P00352 3/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
MEN1 O00255 1/20 0.36
BLM P54132 1/20 0.36
TP53 P04637 1/20 0.36
GFER P55789 1/20 0.36
HRH2 P25021 1/20 0.35

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
SCHEMBL87090 0.95 RAB9A (0.40) RAB9AMAPTNPC1SMN1; SMN2CYP3A4
SCHEMBL86672 0.93 KMT2A (0.40) RAB9AMAPTNPC1SMN1; SMN2CYP3A4
SCHEMBL81609 0.87 MAPT (0.38) RAB9AMAPTNPC1SMN1; SMN2CYP3A4
SCHEMBL86858 0.86 MAPT (0.43) RAB9AMAPTNPC1SMN1; SMN2CYP3A4
SCHEMBL86863 0.86 MAPT (0.43) RAB9AMAPTNPC1SMN1; SMN2CYP3A4
SCHEMBL86859 0.85 GAA (0.47) SMN1; SMN2HDAC1KMT2AKDRMEN1
SCHEMBL83770 0.84 TSHR (0.51) RAB9AMAPTNPC1SMN1; SMN2TSHR
SCHEMBL81927 0.84 ALDH1A1 (0.42) RAB9AMAPTNPC1SMN1; SMN2MAPK1
SCHEMBL86864 0.83 HTT (0.48) NPC1SMN1; SMN2CYP3A4CYP2C19CYP2C9
SCHEMBL2258924 0.82 GAA (0.43) MAPTSMN1; SMN2TSHRKMT2AALDH1A1

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 RAB9A 1543/4885MAPT 2333/4885NPC1 4109/4885
US-20130184270-A1 SUBSTITUTED 2,3-DIHYDROIMIDAZO[1,2-C]QUINAZOLINE-CONTAINING COMBINATIONS KIT, CSNK2A1, CSNK1A1 RAB9A 2541/4885MAPT 3803/4885NPC1 757/4885

“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.