SCHEMBL253756

SCHEMBL253756

CC(c1ccc(N)nn1)c1nnc2ccc(Br)cn12

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 1/20 0.36
KMT2A Q03164 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
PIK3CG P48736 1/20 0.36
MAPK14 Q16539 7/20 0.31
MAP3K14 Q99558 1/20 0.31
GAA P10253 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
Trifluoroacetic Acid SCHEMBL253873 0.89 MAPK14 (0.33) MEN1ALDH1A1KMT2AL3MBTL1MAPK14
SCHEMBL3412111 0.85 MAPK14 (0.33) MAPK14MAP3K14
SCHEMBL250864 0.84 MAPK14 (0.34) MEN1ALDH1A1KMT2AL3MBTL1MAPK14
SCHEMBL3412470 0.84 MAPK14 (0.32) MAPK14
SCHEMBL246806 0.81 PIK3CG (0.40) MEN1ALDH1A1KMT2AL3MBTL1PIK3CG
SCHEMBL3091722 0.76 MAPK14 (0.46) MEN1ALDH1A1KMT2AL3MBTL1MAPK14
Hydrochloric Acid SCHEMBL4208457 0.75 MAPK14 (0.47) MAPK14
SCHEMBL19182673 0.74 MAPK14 (0.40) MEN1ALDH1A1KMT2AL3MBTL1MAPK14
SCHEMBL19182951 0.74 MAPK14 (0.40) MEN1ALDH1A1KMT2AL3MBTL1MAPK14
SCHEMBL18117079 0.73 AHR (0.33) MEN1ALDH1A1KMT2AL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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 MEN1 128/4885ALDH1A1 3001/4885KMT2A 233/4885
US-20100063054-A1 cMET INHIBITORS CEPT1, LCAT, GNMT MEN1 142/4885ALDH1A1 3166/4885KMT2A 394/4885

“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.