SCHEMBL4977912

SCHEMBL4977912

O=C(Nc1ccc(C(OCC2CCCN2)(C(F)(F)F)C(F)(F)F)cc1)c1cccnc1NCc1ccnc2[nH]ccc12

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDR P35968 10/20 0.44
MET P08581 6/20 0.41
PDPK1 O15530 1/20 0.37
RET P07949 1/20 0.36
MAP3K20 Q9NYL2 1/20 0.36
RIPK3 Q9Y572 1/20 0.36
NTRK1 P04629 1/20 0.36
FLT3 P36888 1/20 0.36
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36
GAA P10253 1/20 0.36
MAPT P10636 1/20 0.36
KMT2A Q03164 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36

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
SCHEMBL4975078 1.00 KDR (0.44) KDRMETPDPK1RETMAP3K20
SCHEMBL5012043 0.92 MEN1 (0.43) KDRMETPDPK1KDM4EMEN1
SCHEMBL4973509 0.92 MEN1 (0.43) KDRMETPDPK1KDM4EMEN1
SCHEMBL4974686 0.85 MET (0.40) KDRMETPDPK1RETMAP3K20
SCHEMBL13417754 0.85 KDR (0.64) KDRRETMAP3K20RIPK3FLT3
SCHEMBL3154240 0.85 KDR (0.64) KDRRETMAP3K20RIPK3FLT3
SCHEMBL4972962 0.84 KDR (0.51) KDRMETPDPK1NTRK1FLT3
SCHEMBL4977902 0.82 MET (0.36) MET
SCHEMBL3156312 0.82 KDR (0.49) KDRRETMAP3K20RIPK3FLT3
SCHEMBL13417757 0.82 KDR (0.49) KDRRETMAP3K20RIPK3FLT3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8247556-B2 Method for preparing 6-substituted-7-aza-indoles AMGEN INC. (US) 2012-08-21 US disclosed
EP-1971604-B1 PYRROLO-PYRIDINE DERIVATIVES FOR THE TREATMENT OF CANCER DISEASES AMGEN INC (US) 2012-08-01 EP disclosed
EP-1971604-A2 PYRROLO-PYRIDINE DERIVATIVES FOR THE TREATMENT OF CANCER DISEASES Amgen Inc. (US) 2008-09-24 EP disclosed
US-20070185171-A1 Compounds and methods of use AMGEN INC. 2007-08-09 US disclosed
WO-2007048070-A2 PYRROLO-PYRIDINE DERIVATIVES FOR THE TREATMENT OF CANCER DISEASES AMGEN INC. (US) 2007-04-26 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 (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-20070185171-A1 Compounds and methods of use VHL, PGF, PTGIS KDR 59/4885MET 994/4885PDPK1 1891/4885

“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.