SCHEMBL2624943

SCHEMBL2624943

CN1CCN(Cc2ccc(C(=O)Nc3ccc(F)c(Nc4nccc(-c5cccnc5)n4)c3)cc2)CC1

nearest known ligand 0.84

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 20/20 0.84
BCR P11274 15/20 0.84
KIT P10721 11/20 0.84
ABL2 P42684 6/20 0.84
LYN P07948 4/20 0.84
PDGFRA P16234 3/20 0.84
PDGFRB P09619 2/20 0.84
SRC P12931 2/20 0.84
SYK P43405 2/20 0.84
PLK4 O00444 1/20 0.84
DDX3X O00571 1/20 0.84
GAK O14976 1/20 0.84
SLC22A2 O15244 1/20 0.84
MAPK13 O15264 1/20 0.84
CA12 O43570 1/20 0.84
SLC22A3 O75751 1/20 0.84
ABCB11 O95342 1/20 0.84
EGFR P00533 1/20 0.84
CA1 P00915 1/20 0.84
CA2 P00918 1/20 0.84

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
SCHEMBL3860717 0.97 ABL1 (0.85) ABL1BCRKITABL2LYN
SCHEMBL3860712 0.97 ABL1 (0.80) ABL1BCRKITABL2LYN
SCHEMBL3863820 0.95 ABL1 (0.79) ABL1BCRKITABL2LYN
SCHEMBL3859043 0.94 ABL1 (0.81) ABL1BCRKITABL2LYN
SCHEMBL3863215 0.92 ABL1 (0.74) ABL1BCRKITABL2LYN
SCHEMBL990376 0.92 ABL1 (0.81) ABL1BCRKITABL2LYN
Imatinib SCHEMBL29355523 0.92 ABL1 (1.00) ABL1BCRKITABL2LYN
Imatinib SCHEMBL2236091 0.92 ABL1 (1.00) ABL1BCRKITABL2LYN
Imatinib SCHEMBL29351601 0.92 ABL1 (1.00) ABL1BCRKITABL2LYN
Imatinib SCHEMBL3827 0.92 ABL1 (1.00) ABL1BCRKITABL2LYN

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120095217-A1 FLUORINE CONTAINING COMPOUNDS AND METHODS OF USE THEREOF PRESIDENT AND FELLOWS OF HARVARD COLLEGE 2012-04-19 US disclosed
WO-2010081036-A2 FLUORINE CONTAINING COMPOUNDS AND METHODS OF USE THEREOF PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2010-07-15 WO disclosed
US-7595323-B2 N-phenyl-2-pyrimidine-amine derivatives and process for the preparation thereof IL YANG PHARM. CO., LTD. (KR) 2009-09-29 US disclosed
US-20040248918-A1 Anticancer agents IL YANG PHARM. CO., LTD. 2004-12-09 US disclosed
WO-2004099186-A1 N-PHENYL-2-PYRIMIDINE-AMINE DERIVATIVES AND PROCESS FOR THE PREPARATION THEREOF IL YANG PHARM CO., LTD. (KR) 2004-11-18 WO disclosed
WO-2004099187-A1 N-PHENYL-2-PYRIMIDINE-AMINE DERIVATIVES AND PROCESS FOR THE PREPARATION THEREOF IL YANG PHARM. CO. LTD. (KR) 2004-11-18 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 (2 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-20040248918-A1 Anticancer agents BRDT, CHIA, RNASE1 ABL1 1106/4885BCR 2730/4885KIT 851/4885
US-20120095217-A1 FLUORINE CONTAINING COMPOUNDS AND METHODS OF USE THEREOF FLI1, CDC73, FOS ABL1 40/4885BCR 314/4885KIT 2839/4885

“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.