SCHEMBL253680

SCHEMBL253680

O=C(O)Nc1cn2nc(Sc3nnc4ccccn34)ccc2n1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CSNK1D P48730 9/20 0.44
CSNK1E P49674 9/20 0.44
SMN1; SMN2 Q16637 3/20 0.42
ALDH1A1 P00352 3/20 0.42
HPGD P15428 2/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
KDM4E B2RXH2 6/20 0.42
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C19 P33261 1/20 0.40
RECQL P46063 1/20 0.40

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
SCHEMBL251711 0.88 CSNK1D (0.53) CSNK1DCSNK1EALDH1A1KDM4E
SCHEMBL253551 0.86 SMN1; SMN2 (0.40) CSNK1DCSNK1ESMN1; SMN2ALDH1A1HPGD
SCHEMBL5954339 0.82 KDM4E (0.38) CSNK1DCSNK1ESMN1; SMN2ALDH1A1HPGD
SCHEMBL3499006 0.81 TP53 (0.44) CSNK1DCSNK1E
SCHEMBL3405758 0.79 RAB9A (0.35) CSNK1DCSNK1ESMN1; SMN2ALDH1A1HPGD
SCHEMBL252283 0.78 RAB9A (0.41) SMN1; SMN2ALDH1A1HPGDNPC1RAB9A
SCHEMBL5954536 0.76 KDR (0.47) CSNK1DCSNK1E
SCHEMBL251983 0.76 KDR (0.43) CSNK1DCSNK1E
SCHEMBL252682 0.75 KDR (0.46) CSNK1DCSNK1E
SCHEMBL252980 0.75 KDR (0.43) CSNK1DCSNK1E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130315895-A1 COMBINATION OF A cMET INHIBITOR AND AN ANTIBODY TO HGF AND/OR cMET TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-11-28 US disclosed
EP-2588107-A1 COMBINATION OF A cMET INHIBITOR AND AN ANTIBODY TO HGF AND/OR cMET Takeda Pharmaceutical Company Limited (JP) 2013-05-08 EP disclosed
US-8178534-B2 cMET inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-05-15 US disclosed
WO-2012003338-A1 COMBINATION OF A cMET INHIBITOR AND AN ANTIBODY TO HGF AND/OR cMET TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-01-05 WO disclosed
EP-2313407-A1 cMET INHIBITORS Takeda Pharmaceutical Company Limited (JP) 2011-04-27 EP disclosed
US-20100063054-A1 cMET INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-03-11 US disclosed
WO-2010019899-A1 cMET INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-02-18 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 (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-20130315895-A1 COMBINATION OF A cMET INHIBITOR AND AN ANTIBODY TO HGF AND/OR cMET HGF, MET, HGFAC CSNK1D 2737/4885CSNK1E 1156/4885SMN1; SMN2 2559/4885
US-20100063054-A1 cMET INHIBITORS CEPT1, LCAT, GNMT CSNK1D 225/4885CSNK1E 119/4885SMN1; SMN2 4131/4885

“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.