SCHEMBL4972124

SCHEMBL4972124

O=C(Nc1ccc(C(F)(F)F)cc1)c1cc(F)cnc1NCc1ccnc2[nH]ccc12

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDR P35968 5/20 0.47
PDPK1 O15530 3/20 0.47
BRAF P15056 2/20 0.43
MAPK14 Q16539 1/20 0.43
TNNI3K Q59H18 1/20 0.43
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
MET P08581 7/20 0.40
FLT1 P17948 1/20 0.40
AURKA O14965 1/20 0.39
KLKB1 P03952 1/20 0.39
KIT P10721 1/20 0.39
EGLN1 Q9GZT9 1/20 0.39

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
SCHEMBL4970611 0.93 PDPK1 (0.42) KDRPDPK1BRAFMAPK14TNNI3K
SCHEMBL4974499 0.92 DHPS (0.44) KDRPDPK1METFLT1AURKA
SCHEMBL5423013 0.91 KDR (0.51) KDRBRAFMAPK14TNNI3KFLT1
SCHEMBL5414535 0.90 KDR (0.46) KDRPDPK1BRAFMAPK14TNNI3K
SCHEMBL4977246 0.90 MET (0.43) PDPK1METKLKB1KIT
SCHEMBL4971833 0.89 MET (0.45) KDRPDPK1METKLKB1
SCHEMBL4977706 0.89 KDR (0.49) KDRPDPK1MET
SCHEMBL4972493 0.89 MET (0.46) KDRPDPK1METKIT
SCHEMBL4975671 0.89 MET (0.42) KDRPDPK1METKIT
SCHEMBL4973969 0.89 KDR (0.49) KDRBRAFMAPK14TNNI3KMET

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-1971604-A2 PYRROLO-PYRIDINE DERIVATIVES FOR THE TREATMENT OF CANCER DISEASES Amgen Inc. (US) 2008-09-24 EP claimed
US-20070185171-A1 Compounds and methods of use AMGEN INC. 2007-08-09 US claimed
WO-2007048070-A2 PYRROLO-PYRIDINE DERIVATIVES FOR THE TREATMENT OF CANCER DISEASES AMGEN INC. (US) 2007-04-26 WO claimed
US-8247556-B2 Method for preparing 6-substituted-7-aza-indoles AMGEN INC. (US) 2012-08-21 US disclosed
US-8247556-B2 Method for preparing 6-substituted-7-aza-indoles AMGEN INC. (US) 2012-08-21 US disclosed
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
US-20070185171-A1 Compounds and methods of use AMGEN INC. 2007-08-09 US 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
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 59/4885PDPK1 1891/4885BRAF 794/4885

“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.