SCHEMBL3581237

SCHEMBL3581237

CNc1cc(-n2nc(CN3CCC(N(C)C)C3)cc2Nc2cc(NC(=O)c3cccc(C(F)(F)F)c3)ccc2C)ncn1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LYN P07948 17/20 0.49
LCK P06239 15/20 0.49
SRC P12931 14/20 0.49
KDR P35968 14/20 0.49
INSR P06213 12/20 0.49
HCK P08631 12/20 0.49
ABL1 P00519 4/20 0.48
BRAF P15056 3/20 0.48
BCR P11274 2/20 0.48
RIPK2 O43353 1/20 0.48
FYN P06241 1/20 0.48
RET P07949 1/20 0.48
PDGFRB P09619 1/20 0.48
ARAF P10398 1/20 0.48
NQO2 P16083 1/20 0.48
EPHA2 P29317 1/20 0.48
EPHB2 P29323 1/20 0.48
CSK P41240 1/20 0.48
ABL2 P42684 1/20 0.48
FRK P42685 1/20 0.48

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
SCHEMBL3579417 0.89 LCK (0.51) LYNLCKSRCKDRINSR
SCHEMBL9967521 0.88 LCK (0.49) LYNLCKSRCKDRINSR
SCHEMBL3587022 0.88 LCK (0.49) LYNLCKSRCKDRINSR
SCHEMBL3594267 0.88 BRAF (0.55) LYNLCKSRCKDRINSR
SCHEMBL9928652 0.87 LCK (0.52) LYNLCKSRCKDRINSR
SCHEMBL3596568 0.87 LCK (0.56) LYNLCKSRCKDRINSR
SCHEMBL3583859 0.87 LCK (0.50) LYNLCKSRCKDRINSR
SCHEMBL3589440 0.86 LCK (0.54) LYNLCKSRCKDRINSR
SCHEMBL9970924 0.85 LCK (0.57) LYNLCKSRCKDRINSR
SCHEMBL3589370 0.85 LCK (0.54) LYNLCKSRCKDRINSR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8202876-B2 Compounds and compositions as protein kinase inhibitors IRM LLC (BM) 2012-06-19 US claimed
US-20100029605-A1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2010-02-04 US claimed
US-8202876-B2 Compounds and compositions as protein kinase inhibitors IRM LLC (BM) 2012-06-19 US disclosed
US-8202876-B2 Compounds and compositions as protein kinase inhibitors IRM LLC (BM) 2012-06-19 US disclosed
US-20100029605-A1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2010-02-04 US disclosed
US-20100029605-A1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2010-02-04 US disclosed
EP-2057146-A1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2009-05-13 EP disclosed
WO-2008042639-A1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2008-04-10 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-20100029605-A1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS FYN, ABL2, LCK LYN 12/4885LCK 3/4885SRC 6/4885

“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.