SCHEMBL2624940

SCHEMBL2624940

CN1CCN(Cc2ccc(C(=O)Nc3cccc(Nc4nccc(-c5cccnc5)n4)c3)cc2F)CC1

nearest known ligand 0.82

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 20/20 0.82
BCR P11274 19/20 0.82
LYN P07948 5/20 0.82
PDGFRB P09619 7/20 0.79
PDGFRA P16234 7/20 0.79
SRC P12931 5/20 0.79
SYK P43405 2/20 0.79
KIT P10721 4/20 0.66
ABL2 P42684 2/20 0.65
PLK4 O00444 1/20 0.65
DDX3X O00571 1/20 0.65
GAK O14976 1/20 0.65
SLC22A2 O15244 1/20 0.65
MAPK13 O15264 1/20 0.65
CA12 O43570 1/20 0.65
SLC22A3 O75751 1/20 0.65
ABCB11 O95342 1/20 0.65
EGFR P00533 1/20 0.65
CA1 P00915 1/20 0.65
CA2 P00918 1/20 0.65

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
SCHEMBL2631549 0.92 ABL1 (0.89) ABL1BCRLYNPDGFRBPDGFRA
SCHEMBL3563933 0.90 ABL1 (1.00) ABL1BCRLYNPDGFRBPDGFRA
SCHEMBL4891357 0.89 ABL1 (0.84) ABL1BCRLYNPDGFRBPDGFRA
SCHEMBL9485 0.88 ABL1 (1.00) ABL1BCRLYNPDGFRBPDGFRA
SCHEMBL4885468 0.86 ABL1 (0.85) ABL1BCRLYNPDGFRBPDGFRA
SCHEMBL3866664 0.85 ABL1 (0.94) ABL1BCRLYNPDGFRBPDGFRA
SCHEMBL8261009 0.85 ABL1 (0.94) ABL1BCRLYNPDGFRBPDGFRA
SCHEMBL3567918 0.83 ABL1 (0.88) ABL1BCRLYNPDGFRBPDGFRA
SCHEMBL988910 0.83 ABL1 (0.82) ABL1BCRLYNPDGFRBPDGFRA
SCHEMBL3867814 0.83 ABL1 (0.88) ABL1BCRLYNPDGFRBPDGFRA

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 2 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

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-20120095217-A1 FLUORINE CONTAINING COMPOUNDS AND METHODS OF USE THEREOF FLI1, CDC73, FOS ABL1 40/4885BCR 314/4885LYN 2032/4885

“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.