SCHEMBL3596608

SCHEMBL3596608

CNc1cc(-n2nc(C)cc2Nc2cc(NC(=O)c3cc(NCCN(C)C)nc(C(F)(F)F)c3)ccc2C)ncn1

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
LCK P06239 15/20 0.49
LYN P07948 15/20 0.49
SRC P12931 15/20 0.49
KDR P35968 15/20 0.49
HCK P08631 13/20 0.49
INSR P06213 13/20 0.49
BRAF P15056 5/20 0.45
RAF1 P04049 1/20 0.41
ARAF P10398 1/20 0.41

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
SCHEMBL3586592 0.92 LCK (0.53) LCKLYNSRCKDRHCK
SCHEMBL3583110 0.91 BRAF (0.46) LCKLYNSRCKDRHCK
SCHEMBL3580377 0.88 LCK (0.44) LCKLYNSRCKDRHCK
SCHEMBL3588148 0.85 BRAF (0.48) LCKLYNSRCKDRHCK
SCHEMBL3589929 0.84 LCK (0.43) LCKLYNSRCKDRHCK
SCHEMBL3584426 0.84 LCK (0.47) LCKLYNSRCKDRHCK
SCHEMBL3588537 0.84 INSR (0.49) LCKLYNSRCKDRHCK
SCHEMBL3586434 0.84 BRAF (0.49) LCKLYNSRCKDRHCK
SCHEMBL14219021 0.84 KDR (0.49) LCKLYNSRCKDRHCK
SCHEMBL3594900 0.84 LCK (0.49) LCKLYNSRCKDRHCK

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 11 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
EP-2057146-A1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2009-05-13 EP claimed
WO-2008042639-A1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2008-04-10 WO 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
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 LCK 3/4885LYN 12/4885SRC 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.