SCHEMBL19349269

SCHEMBL19349269

COc1ncc(NC(=O)Cc2ccc(-c3cnc4[nH]nc(OC)c4c3)cc2)cc1C(F)(F)F

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ BRAF P15056 15/20 0.46
▸ NPC1 O15118 1/20 0.43
▸ LMNA P02545 1/20 0.43
▸ PKM P14618 1/20 0.43
▸ MAP3K20 Q9NYL2 1/20 0.43
▸ RET P07949 1/20 0.43
▸ CDK8 P49336 1/20 0.42
▸ AAK1 Q2M2I8 1/20 0.41
▸ KIT P10721 1/20 0.40

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
SCHEMBL19349542 0.95 RET (0.48) BRAFNPC1LMNAPKMMAP3K20
SCHEMBL19349332 0.93 NPC1 (0.42) BRAFNPC1LMNAPKMRET
SCHEMBL19349405 0.93 BRAF (0.45) BRAFNPC1LMNAPKMMAP3K20
SCHEMBL19349446 0.93 RET (0.43) BRAFNPC1LMNAPKMMAP3K20
SCHEMBL19349306 0.92 BRAF (0.43) BRAFNPC1LMNAPKMMAP3K20
SCHEMBL19349471 0.90 RET (0.40) BRAFNPC1LMNAPKMMAP3K20
SCHEMBL24081833 0.90 BRAF (0.39) BRAFNPC1LMNAPKMMAP3K20
SCHEMBL24081778 0.89 BRAF (0.43) BRAF
SCHEMBL19349307 0.89 RET (0.39) BRAFNPC1LMNAPKMMAP3K20
SCHEMBL19349375 0.85 RET (0.45) BRAFRETCDK8KIT

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
EP-3430005-B1 COMPOUNDS AND METHODS FOR KINASE MODULATION AND INDICATIONS THEREFORE PLEXXIKON INC (US) 2021-12-08 — — EP disclosed
EP-3430005-B1 COMPOUNDS AND METHODS FOR KINASE MODULATION AND INDICATIONS THEREFORE PLEXXIKON INC (US) 2021-12-08 — — EP disclosed
US-10160747-B2 Compounds and methods for kinase modulation, and indications therefor PLEXXIKON INC. (US) 2018-12-25 — — US disclosed
US-20170267660-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC. 2017-09-21 — — US disclosed
WO-2017161045-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION AND INDICATIONS THEREFORE PLEXXIKON INC. (US) 2017-09-21 — — WO disclosed
US-20170267660-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC. 2017-09-21 — — 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-20170267660-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PRKAR2B, AKT3, MAP3K11 BRAF 31/4885NPC1 2565/4885LMNA 1358/4885
US-10160747-B2 Compounds and methods for kinase modulation, and indications therefor PRKAR2B, AKT3, MAP3K11 BRAF 31/4885NPC1 2565/4885LMNA 1358/4885

“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.

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