SCHEMBL3594016

SCHEMBL3594016

CNc1cc(-n2nc(C)cc2Nc2cc(C(=O)Nc3cc(OC)cc(C(F)(F)F)c3)ccc2C)ncn1

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
BRAF P15056 14/20 0.51
MAP4K2 Q12851 2/20 0.48
ABL1 P00519 1/20 0.46
MAP3K7 O43318 1/20 0.46
POLB P06746 1/20 0.44
MAPT P10636 1/20 0.44
APEX1 P27695 1/20 0.44
INSR P06213 1/20 0.42
LCK P06239 1/20 0.42
LYN P07948 1/20 0.42
SRC P12931 1/20 0.42
KDR P35968 1/20 0.42

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
SCHEMBL3594586 0.91 MAP4K2 (0.49) BRAFMAP4K2ABL1MAP3K7POLB
SCHEMBL3597048 0.91 MAP4K2 (0.48) BRAFMAP4K2ABL1MAP3K7POLB
SCHEMBL3589389 0.91 MAP4K2 (0.48) BRAFMAP4K2ABL1MAP3K7POLB
SCHEMBL3594124 0.89 BRAF (0.58) BRAFMAP4K2INSRLCKLYN
SCHEMBL3593435 0.88 POLB (0.59) BRAFPOLBMAPTAPEX1INSR
SCHEMBL3583481 0.88 BRAF (0.57) BRAFMAP4K2MAP3K7INSRLCK
SCHEMBL3587976 0.87 MAP4K2 (0.46) BRAFMAP4K2ABL1MAP3K7POLB
SCHEMBL3590408 0.86 BRAF (0.47) BRAFMAP4K2MAP3K7INSRLCK
SCHEMBL3580671 0.86 BRAF (0.53) BRAFABL1
SCHEMBL3587554 0.86 POLB (0.45) BRAFMAP4K2POLBMAPTAPEX1

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-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

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 BRAF 11/4885MAP4K2 50/4885ABL1 20/4885

“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.