SCHEMBL6912439

SCHEMBL6912439

COc1cc2nc[nH]c(=O)c2c(Cl)c1OC

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRC P12931 2/20 0.45
TNF P01375 1/20 0.42
PARP1 P09874 6/20 0.42
KMT2A Q03164 1/20 0.40
DHFR P00374 1/20 0.39
ALDH1A1 P00352 2/20 0.39
MAPT P10636 1/20 0.37
PDGFRB P09619 2/20 0.37
EGFR P00533 1/20 0.36
KDM4E B2RXH2 1/20 0.36
NPC1 O15118 1/20 0.36
PDPK1 O15530 1/20 0.36
HPGD P15428 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
AMY1A P0DUB6 1/20 0.36
KIT P10721 1/20 0.36
KDR P35968 1/20 0.36
CHEK1 O14757 1/20 0.36
PIM1 P11309 1/20 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
SCHEMBL30353903 0.86 SRC (0.48) SRCPARP1KMT2ADHFRALDH1A1
SCHEMBL6912846 0.86 SRC (0.48) SRCPARP1KMT2ADHFRALDH1A1
SCHEMBL20546993 0.82 SRC (0.45) SRCPARP1KMT2ADHFRALDH1A1
SCHEMBL30353891 0.82 SRC (0.45) SRCPARP1KMT2ADHFRALDH1A1
SCHEMBL15680657 0.79 SRC (0.42) SRCPARP1KMT2ADHFRALDH1A1
SCHEMBL1468319 0.78 TNF (0.46) SRCTNFPARP1KMT2ADHFR
SCHEMBL1806677 0.77 BRD4 (0.41) TNFPDGFRBAMY1A
SCHEMBL17241137 0.74 HPGD (0.40) SRCPARP1ALDH1A1MAPTKDM4E
SCHEMBL29609262 0.74 PDE3B (0.50) SRCPARP1KMT2AALDH1A1KDM4E
SCHEMBL615784 0.74 PDE3B (0.50) SRCPARP1KMT2AALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10174053-B2 2 substituted cephem compounds GLAXO GROUP LIMITED (GB) 2019-01-08 US disclosed
US-10174053-B2 2 substituted cephem compounds GLAXO GROUP LIMITED (GB) 2019-01-08 US disclosed
US-20170281532-A1 2 SUBSTITUTED CEPHEM COMPOUNDS GLAXO GROUP LIMITED (GB) 2017-10-05 US disclosed
US-20170281532-A1 2 SUBSTITUTED CEPHEM COMPOUNDS GLAXO GROUP LIMITED (GB) 2017-10-05 US disclosed
US-20170281532-A1 2 SUBSTITUTED CEPHEM COMPOUNDS GLAXO GROUP LIMITED (GB) 2017-10-05 US disclosed
US-20150299223-A1 2-SUBSTITUTED CEPHEM COMPOUNDS GLAXO GROUP LTD (GB) 2015-10-22 US disclosed
US-20150299223-A1 2-SUBSTITUTED CEPHEM COMPOUNDS GLAXO GROUP LTD (GB) 2015-10-22 US disclosed
US-20150299223-A1 2-SUBSTITUTED CEPHEM COMPOUNDS GLAXO GROUP LTD (GB) 2015-10-22 US disclosed
EP-2917223-A1 2 SUBSTITUTED CEPHEM COMPOUNDS Glaxo Group Limited (GB) 2015-09-16 EP disclosed
US-8859571-B2 Quinazoline compounds GLAXOSMITHKLINE LLC (US) 2014-10-14 US disclosed
US-8859571-B2 Quinazoline compounds GLAXOSMITHKLINE LLC (US) 2014-10-14 US disclosed
EP-2501233-B1 QUINAZOLINE COMPOUNDS GLAXOSMITHKLINE LLC (US) 2014-09-24 EP disclosed
WO-2014068388-A1 2 SUBSTITUTED CEPHEM COMPOUNDS GLAXO GROUP LIMITED (GB) 2014-05-08 WO disclosed
US-20120220588-A1 QUINAZOLINE COMPOUNDS GLAXOSMITHKLINE LLC 2012-08-30 US disclosed
US-20120220588-A1 QUINAZOLINE COMPOUNDS GLAXOSMITHKLINE LLC 2012-08-30 US disclosed
WO-2011056740-A1 QUINAZOLINE COMPOUNDS GLAXOSMITHKLINE LLC (US) 2011-05-12 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 (4 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-20170281532-A1 2 SUBSTITUTED CEPHEM COMPOUNDS CEP170, CES2, CMBL SRC 4027/4885TNF 2990/4885PARP1 814/4885
US-20120220588-A1 QUINAZOLINE COMPOUNDS NQO2, PRMT7, QDPR SRC 3782/4885TNF 4843/4885PARP1 612/4885
US-20150299223-A1 2-SUBSTITUTED CEPHEM COMPOUNDS CEP170, ABL1, CEPT1 SRC 3055/4885TNF 1673/4885PARP1 2201/4885
US-10174053-B2 2 substituted cephem compounds CEP170, CES2, CMBL SRC 4027/4885TNF 2990/4885PARP1 814/4885

“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.