SCHEMBL19349332

SCHEMBL19349332

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 1/20 0.42
▸ LMNA P02545 1/20 0.42
▸ PKM P14618 1/20 0.42
▸ RET P07949 3/20 0.42
▸ CDK8 P49336 3/20 0.41
▸ BRAF P15056 4/20 0.40
▸ KDR P35968 6/20 0.40
▸ AAK1 Q2M2I8 1/20 0.40
▸ KIT P10721 1/20 0.39
▸ PLK4 O00444 2/20 0.39
▸ AURKA O14965 2/20 0.39
▸ ROCK2 O75116 2/20 0.39
▸ NTRK1 P04629 2/20 0.39
▸ CDK1 P06493 2/20 0.39
▸ PRKACA P17612 2/20 0.39
▸ FLT1 P17948 2/20 0.39
▸ RPS6KB1 P23443 2/20 0.39
▸ CDK2 P24941 2/20 0.39
▸ MARK3 P27448 2/20 0.39
▸ AKT1 P31749 2/20 0.39

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
SCHEMBL19349269 0.93 BRAF (0.46) NPC1LMNAPKMRETCDK8
SCHEMBL19349446 0.91 RET (0.43) NPC1LMNAPKMRETCDK8
SCHEMBL19349306 0.91 BRAF (0.43) NPC1LMNAPKMRETCDK8
SCHEMBL19349542 0.90 RET (0.48) NPC1LMNAPKMRETCDK8
SCHEMBL19349513 0.89 BRAF (0.42) RETCDK8BRAFKDRKIT
SCHEMBL19349471 0.88 RET (0.40) NPC1LMNAPKMRETCDK8
SCHEMBL19349307 0.88 RET (0.39) NPC1LMNAPKMRETCDK8
SCHEMBL24081833 0.86 BRAF (0.39) NPC1LMNAPKMRETCDK8
SCHEMBL19349405 0.86 BRAF (0.45) NPC1LMNAPKMCDK8BRAF
SCHEMBL24081778 0.82 BRAF (0.43) BRAF

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 9 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
EP-3430005-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION AND INDICATIONS THEREFORE Plexxikon Inc. (US) 2019-01-23 — — 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
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 NPC1 2565/4885LMNA 1358/4885PKM 283/4885
US-10160747-B2 Compounds and methods for kinase modulation, and indications therefor PRKAR2B, AKT3, MAP3K11 NPC1 2565/4885LMNA 1358/4885PKM 283/4885

“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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