SCHEMBL6103608

SCHEMBL6103608

N#Cc1ccc(CNc2ncccc2C(=O)Nc2ccc(Cl)cc2)cc1

nearest known ligand 0.74

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KDR P35968 14/20 0.74
RET P07949 1/20 0.56
MAP3K20 Q9NYL2 1/20 0.56
RIPK3 Q9Y572 1/20 0.56
PDPK1 O15530 2/20 0.53
EGLN1 Q9GZT9 1/20 0.52
ATM Q13315 1/20 0.52
ABCB1 P08183 1/20 0.52

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
SCHEMBL15528935 0.87 KDR (0.84) KDRABCB1
SCHEMBL429452 0.85 KDR (1.00) KDRRETMAP3K20RIPK3ABCB1
SCHEMBL6104034 0.82 KDR (0.64) KDRRETMAP3K20RIPK3PDPK1
SCHEMBL428954 0.80 KDR (0.70) KDRPDPK1
Hydrochloric Acid SCHEMBL448725 0.79 KDR (0.86) KDRRETMAP3K20RIPK3ABCB1
SCHEMBL7277038 0.78 ATM (0.67) EGLN1ATM
SCHEMBL18049007 0.77 PDPK1 (0.64) KDRRETMAP3K20RIPK3PDPK1
SCHEMBL18048938 0.77 KDR (0.69) KDR
SCHEMBL3115327 0.77 KDR (0.74) KDRRETMAP3K20RIPK3ABCB1
SCHEMBL1715912 0.76 KDR (0.64) KDREGLN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7101868-B2 Substituted arylamine derivatives and methods of use AMGEN INC. (US) 2006-09-05 US claimed
US-20040204437-A1 Substituted arylamine derivatives and methods of use AMGEN INC. 2004-10-14 US claimed
US-20020147198-A1 Substituted arylamine derivatives and methods of use AMGEN INC. 2002-10-10 US claimed
US-7101868-B2 Substituted arylamine derivatives and methods of use AMGEN INC. (US) 2006-09-05 US disclosed
EP-1583744-A2 SUBSTITUTED BENZYLAMINE DERIVATIVES AND METHODS OF USE Amgen Inc. (US) 2005-10-12 EP disclosed
US-20050153960-A1 Substituted arylamine derivatives and methods of use AMGEN INC. 2005-07-14 US disclosed
US-20040204437-A1 Substituted arylamine derivatives and methods of use AMGEN INC. 2004-10-14 US disclosed
WO-2004007457-A2 SUBSTITUTED BENZYLAMINE DERIVATIVES AND METHODS OF USE AMGEN INC. (US) 2004-01-22 WO disclosed
EP-1358161-A2 N-PYRIDYL CARBOXAMIDE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM Amgen Inc. (US) 2003-11-05 EP disclosed
US-20030134836-A1 Substituted arylamine derivatives and methods of use AMGEN INC. 2003-07-17 US disclosed
US-20020147198-A1 Substituted arylamine derivatives and methods of use AMGEN INC. 2002-10-10 US disclosed
WO-2002055501-A2 N-PYRIDYL CARBOXAMIDE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AMGEN INC (US) 2002-07-18 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 (4 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-20050153960-A1 Substituted arylamine derivatives and methods of use NAT1, AADAC, AHR KDR 18/4885RET 1473/4885MAP3K20 2244/4885
US-20040204437-A1 Substituted arylamine derivatives and methods of use NAT1, AADAC, AHR KDR 18/4885RET 1473/4885MAP3K20 2244/4885
US-20030134836-A1 Substituted arylamine derivatives and methods of use NAT1, AADAC, AHR KDR 18/4885RET 1473/4885MAP3K20 2244/4885
US-20020147198-A1 Substituted arylamine derivatives and methods of use NAT1, AADAC, AHR KDR 18/4885RET 1473/4885MAP3K20 2244/4885

“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.