SCHEMBL2746971

SCHEMBL2746971

Nc1cn2nc(Sc3nnc4ccc(Cl)cn34)ccc2n1

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.34
KDM4E B2RXH2 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
AHR P35869 2/20 0.34
MAPT P10636 1/20 0.32
PIK3CD O00329 1/20 0.30
PIK3R1 P27986 1/20 0.30
MAP3K14 Q99558 1/20 0.30
MET P08581 1/20 0.30
PDE3B Q13370 1/20 0.30
PDE3A Q14432 1/20 0.30
LRRK2 Q5S007 1/20 0.30

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
SCHEMBL252283 0.82 RAB9A (0.41) ALDH1A1KDM4ENPC1RAB9ASMN1; SMN2
SCHEMBL5953672 0.78 KDM4E (0.30) ALDH1A1KDM4ENPC1RAB9ASMN1; SMN2
SCHEMBL3394855 0.77 KDM4E (0.30) ALDH1A1KDM4ENPC1RAB9ASMN1; SMN2
SCHEMBL252254 0.75 KDR (0.43) MET
SCHEMBL5955351 0.66 KDR (0.43) MET
SCHEMBL1302985 0.66 KDM4E (0.46) ALDH1A1KDM4ESMN1; SMN2AHR
SCHEMBL27455823 0.65 PIM1 (0.55) ALDH1A1KDM4ENPC1RAB9ASMN1; SMN2
SCHEMBL15415685 0.63 AHR (0.51) ALDH1A1KDM4ENPC1RAB9AAHR
SCHEMBL5954382 0.63 KDR (0.42) MET
SCHEMBL5954136 0.63 KDR (0.42) MET

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
US-8178534-B2 cMET inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-05-15 US 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
US-20100063054-A1 cMET INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-03-11 US 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 ALDH1A1 3001/4885KDM4E 2451/4885NPC1 1589/4885
US-20100063054-A1 cMET INHIBITORS CEPT1, LCAT, GNMT ALDH1A1 3166/4885KDM4E 664/4885NPC1 313/4885

“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.