SCHEMBL2745703

SCHEMBL2745703

Cn1cc(-c2ccc3nnn(Cc4ccc5nc(N)cn5n4)c3c2)cn1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MET P08581 12/20 0.44
PIK3CG P48736 2/20 0.40
PIK3CD O00329 1/20 0.40
PIK3CA P42336 1/20 0.40
PIK3CB P42338 1/20 0.40
PI4KA P42356 1/20 0.40
PI4KB Q9UBF8 1/20 0.40
BRD4 O60885 1/20 0.37
PDE3B Q13370 2/20 0.36
PDE3A Q14432 2/20 0.36
LOXL2 Q9Y4K0 1/20 0.35
CDK9 P50750 1/20 0.34
NTRK1 P04629 1/20 0.34
CSF1R P07333 1/20 0.34
NTRK3 Q16288 1/20 0.34
NTRK2 Q16620 1/20 0.34
LRRK2 Q5S007 1/20 0.34
TNF P01375 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
SCHEMBL253785 0.82 GSK3B (0.47) PIK3CG
SCHEMBL3400619 0.81 NAMPT (0.34) METBRD4CDK9
SCHEMBL253221 0.79 PIK3CG (0.36) PIK3CGCDK9
Hydrochloric Acid SCHEMBL251752 0.79 PIK3CG (0.35) PIK3CGCDK9
SCHEMBL2747669 0.72 CSNK1D (0.39) METCDK9
SCHEMBL5955411 0.72 GSK3B (0.41) METCDK9
SCHEMBL2745699 0.72 LRRK2 (0.41) METBRD4CDK9LRRK2
SCHEMBL10274940 0.71 PIK3CA (0.40) PIK3CACDK9
SCHEMBL5955085 0.70 CCNC (0.39) CDK9
SCHEMBL5955181 0.69 KDR (0.39) METPIK3CACDK9

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
EP-2313407-B1 cMET INHIBITORS TAKEDA PHARMACEUTICAL (JP) 2016-10-05 EP claimed
US-8178534-B2 cMET inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-05-15 US claimed
EP-2313407-B1 cMET INHIBITORS TAKEDA PHARMACEUTICAL (JP) 2016-10-05 EP 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
US-20100063054-A1 cMET INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-03-11 US 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 (1 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-20100063054-A1 cMET INHIBITORS CEPT1, LCAT, GNMT MET 86/4885PIK3CG 621/4885PIK3CD 631/4885

“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.