SCHEMBL20532264

SCHEMBL20532264

COC(=O)NC(C)CNc1nccc(-c2cn(C(C)C)nc2-c2cc(F)cc(NS(C)(=O)=O)c2F)n1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRAF P15056 20/20 1.00
PGRMC1 O00264 1/20 0.86
RIPK2 O43353 1/20 0.86
NR1I2 O75469 1/20 0.86
CDK4 P11802 1/20 0.86
CHRM3 P20309 1/20 0.86
CCKBR P32239 1/20 0.86
OPRK1 P41145 1/20 0.86
HTR2B P41595 1/20 0.86
MAPK8 P45983 1/20 0.86
MAPK9 P45984 1/20 0.86
CSNK1A1 P48729 1/20 0.86
MAPKAPK2 P49137 1/20 0.86
PCYT1A P49585 1/20 0.86
GSK3A P49840 1/20 0.86
GSK3B P49841 1/20 0.86
IRAK1 P51617 1/20 0.86
LIMK1 P53667 1/20 0.86
LIMK2 P53671 1/20 0.86
PDE4D Q08499 1/20 0.86

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
SCHEMBL8240787 1.00 BRAF (1.00) BRAFPGRMC1RIPK2NR1I2CDK4
SCHEMBL8232230 0.93 BRAF (1.00) BRAFPGRMC1RIPK2NR1I2CDK4
SCHEMBL20532258 0.93 BRAF (1.00) BRAFPGRMC1RIPK2NR1I2CDK4
Encorafenib SCHEMBL31210316 0.93 BRAF (1.00) BRAFPGRMC1RIPK2NR1I2CDK4
Encorafenib SCHEMBL8228295 0.93 BRAF (1.00) BRAFPGRMC1RIPK2NR1I2CDK4
Encorafenib SCHEMBL8231398 0.93 BRAF (1.00) BRAFPGRMC1RIPK2NR1I2CDK4
Encorafenib SCHEMBL29368575 0.93 BRAF (1.00) BRAFPGRMC1RIPK2NR1I2CDK4
Encorafenib SCHEMBL8512458 0.93 BRAF (1.00) BRAFPGRMC1RIPK2NR1I2CDK4
SCHEMBL8237686 0.93 BRAF (1.00) BRAFPGRMC1RIPK2NR1I2CDK4
SCHEMBL30356458 0.93 BRAF (1.00) BRAFPGRMC1RIPK2NR1I2CDK4

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-10568884-B2 Compounds and compositions as protein kinase inhibitors ARRAY BIOPHARMA INC. (US) 2020-02-25 US disclosed
US-20180297986-A1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS NOVARTIS INTERNATIONAL PHARMACEUTICAL LTD. (BM) 2018-10-18 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 (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-10568884-B2 Compounds and compositions as protein kinase inhibitors BRAF, RAF1, ARAF BRAF 1/4885PGRMC1 3549/4885RIPK2 384/4885
US-20180297986-A1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS BRAF, RAF1, ARAF BRAF 1/4885PGRMC1 3549/4885RIPK2 384/4885

“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.