SCHEMBL247707

SCHEMBL247707

Nc1ccc(Cn2nnc3ccc(Br)cc32)nn1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PTK2 Q05397 7/20 0.40
GRM2 Q14416 4/20 0.39
BACE1 P56817 2/20 0.37
SLC9A1 P19634 2/20 0.35
MGAM O43451 2/20 0.34
AMY1A P0DUB6 2/20 0.34
GAA P10253 2/20 0.34
SI P14410 2/20 0.34
MGAM2 Q2M2H8 2/20 0.34
CDK9 P50750 1/20 0.34
RAB9A P51151 1/20 0.34
PABPC1 P11940 1/20 0.33
TDP1 Q9NUW8 1/20 0.33

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
SCHEMBL3406506 0.83 NAMPT (0.39) PTK2GRM2BACE1SLC9A1MGAM
SCHEMBL251664 0.83 PTK2 (0.40) PTK2GRM2SLC9A1MGAMAMY1A
SCHEMBL253221 0.78 PIK3CG (0.36) PTK2GRM2BACE1MGAMAMY1A
Hydrochloric Acid SCHEMBL251752 0.77 PIK3CG (0.35) PTK2GRM2BACE1CDK9PABPC1
SCHEMBL31473638 0.72 SLC9A1 (0.58) PTK2GRM2SLC9A1MGAMAMY1A
SCHEMBL20529652 0.72 SLC9A1 (0.58) PTK2GRM2SLC9A1MGAMAMY1A
SCHEMBL18117053 0.72 PTK2 (0.36) PTK2GRM2SLC9A1MGAMAMY1A
SCHEMBL16042826 0.71 GRM2 (0.62) PTK2GRM2SLC9A1
SCHEMBL31642496 0.70 SLC9A1 (0.60) GRM2SLC9A1MGAMAMY1AGAA
SCHEMBL26978926 0.70 KMO (0.42) PTK2SLC9A1MGAMAMY1AGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2313407-B1 cMET INHIBITORS TAKEDA PHARMACEUTICAL (JP) 2016-10-05 EP disclosed
EP-2313407-B1 cMET INHIBITORS TAKEDA PHARMACEUTICAL (JP) 2016-10-05 EP disclosed
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
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
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
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
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 PTK2 1122/4885GRM2 572/4885BACE1 1336/4885
US-20100063054-A1 cMET INHIBITORS CEPT1, LCAT, GNMT PTK2 2294/4885GRM2 2259/4885BACE1 926/4885

“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.