SCHEMBL4977902

SCHEMBL4977902

CN(c1ncccc1C(=O)Nc1ccc(C(OC[C@@H]2CCCN2)(C(F)(F)F)C(F)(F)F)cc1)c1ccnc2[nH]ccc12

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MET P08581 7/20 0.36
JAK2 O60674 2/20 0.34
JAK1 P23458 2/20 0.34
JAK3 P52333 1/20 0.34
CIT O14578 2/20 0.33
DHPS P49366 1/20 0.33
CHRNB2 P17787 1/20 0.33
CHRNA4 P43681 1/20 0.33
ACHE P22303 1/20 0.32
GSK3B P49841 1/20 0.32

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
SCHEMBL5012039 0.93 BRAF (0.37) METJAK2JAK1
SCHEMBL4977912 0.82 KDR (0.44) MET
SCHEMBL4975078 0.82 KDR (0.44) MET
SCHEMBL4973509 0.75 MEN1 (0.43) MET
SCHEMBL5012043 0.75 MEN1 (0.43) MET
SCHEMBL3154240 0.74 KDR (0.64) JAK1CIT
SCHEMBL13417754 0.74 KDR (0.64) JAK1CIT
SCHEMBL13417757 0.73 KDR (0.49) JAK1CIT
SCHEMBL3156312 0.73 KDR (0.49) JAK1CIT
SCHEMBL4972115 0.71 BRAF (0.41) METJAK2JAK1CIT

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 MET 994/4885JAK2 686/4885JAK1 1336/4885

“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.