SCHEMBL15922334

SCHEMBL15922334

Nc1cc2c(=O)[nH]cnc2cc1O[C@H]1CCOC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IP6K1 Q92551 5/20 0.42
PARP1 P09874 4/20 0.40
PIK3CD O00329 1/20 0.39
PIK3CA P42336 1/20 0.39
PIK3CB P42338 1/20 0.39
MKNK1 Q9BUB5 1/20 0.37
LRRK2 Q5S007 2/20 0.36
SYK P43405 2/20 0.36
BRD4 O60885 1/20 0.36
ERBB2 P04626 1/20 0.35
EPHA2 P29317 1/20 0.35
KDR P35968 1/20 0.35
EPHB4 P54760 1/20 0.35
SRC P12931 1/20 0.35
IP6K3 Q96PC2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
CHEK1 O14757 1/20 0.35
PIM1 P11309 1/20 0.35
AKT1 P31749 1/20 0.35
FLT3 P36888 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
SCHEMBL15922336 1.00 IP6K1 (0.42) IP6K1PARP1PIK3CDPIK3CAPIK3CB
SCHEMBL4535771 0.90 PIK3CD (0.44) IP6K1PIK3CDPIK3CAPIK3CBMKNK1
SCHEMBL4535757 0.90 PIK3CD (0.44) IP6K1PIK3CDPIK3CAPIK3CBMKNK1
SCHEMBL13606771 0.90 PIK3CD (0.44) IP6K1PIK3CDPIK3CAPIK3CBMKNK1
SCHEMBL30524630 0.86 IP6K1 (0.42) IP6K1PARP1PIK3CDPIK3CAPIK3CB
SCHEMBL29849333 0.86 IP6K1 (0.42) IP6K1PARP1PIK3CDPIK3CAPIK3CB
SCHEMBL26113183 0.86 IP6K1 (0.44) IP6K1PIK3CDPIK3CAPIK3CBMKNK1
SCHEMBL31352786 0.86 IP6K1 (0.44) IP6K1PIK3CDPIK3CAPIK3CBMKNK1
SCHEMBL26113178 0.86 IP6K1 (0.44) IP6K1PIK3CDPIK3CAPIK3CBMKNK1
SCHEMBL13606776 0.83 PIK3CD (0.43) IP6K1PIK3CDPIK3CAPIK3CBMKNK1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150368230-A1 RADIOLABELED QUINAZOLINE DERIVATIVES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-12-24 US disclosed
US-20150368230-A1 RADIOLABELED QUINAZOLINE DERIVATIVES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-12-24 US disclosed
US-20150368230-A1 RADIOLABELED QUINAZOLINE DERIVATIVES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-12-24 US disclosed
EP-2951171-A1 RADIOLABELED QUINAZOLINE DERIVATIVES Boehringer Ingelheim International GmbH (DE) 2015-12-09 EP disclosed
WO-2014118197-A1 RADIOLABELED QUINAZOLINE DERIVATIVES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-08-07 WO 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 (1 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-20150368230-A1 RADIOLABELED QUINAZOLINE DERIVATIVES ERBB2, EGFR, ERBB4 IP6K1 1150/4885PARP1 973/4885PIK3CD 292/4885

“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.