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SCHEMBL1050832

SCHEMBL1050832

O=C(c1c(F)ccc(OCc2ccc(C(F)(F)F)nc2)c1F)c1c[nH]c2ncc(Cl)cc12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BRAF P15056 8/20 0.51
▸ KDR P35968 3/20 0.51
▸ LCK P06239 2/20 0.51
▸ CSF1R P07333 2/20 0.51
▸ PDGFRB P09619 2/20 0.51
▸ KIT P10721 2/20 0.51
▸ PDGFRA P16234 2/20 0.51
▸ FLT1 P17948 2/20 0.51
▸ FLT3 P36888 2/20 0.51
▸ AURKB Q96GD4 2/20 0.51
▸ RIPK2 O43353 2/20 0.51
▸ RAF1 P04049 2/20 0.51
▸ MAP2K2 P36507 2/20 0.51
▸ TGFBR2 P37173 2/20 0.51
▸ NEK2 P51955 2/20 0.51
▸ MAP2K1 Q02750 2/20 0.51
▸ TNK2 Q07912 2/20 0.51
▸ MAP2K5 Q13163 2/20 0.51
▸ PTK6 Q13882 2/20 0.51
▸ NEK11 Q8NG66 2/20 0.51

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
SCHEMBL411639 0.86 BRAF (0.56) BRAFKDRLCKCSF1RPDGFRB
SCHEMBL858346 0.81 BRAF (0.58) BRAFKDRLCKCSF1RPDGFRB
SCHEMBL14147047 0.80 BRAF (0.51) BRAFKDRLCKCSF1RPDGFRB
SCHEMBL1049559 0.79 BRAF (0.53) BRAFKDRLCKCSF1RPDGFRB
SCHEMBL299255 0.78 CYP2C19 (0.71) BRAFKDRLCKCSF1RPDGFRB
SCHEMBL859320 0.78 BRAF (0.52) BRAFKDRLCKCSF1RPDGFRB
SCHEMBL859487 0.78 BRAF (0.51) BRAFKDRLCKCSF1RPDGFRB
SCHEMBL1052191 0.78 BRAF (0.53) BRAFKDRLCKCSF1RPDGFRB
SCHEMBL1053265 0.78 LCK (0.41) BRAFKDRLCKCSF1RPDGFRB
SCHEMBL858314 0.78 BRAF (0.51) BRAFKDRLCKCSF1RPDGFRB

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7872018-B2 Compounds and methods for kinase modulation, and indications therefor PLEXXIKON, INC. (US) 2011-01-18 — — US disclosed
US-7872018-B2 Compounds and methods for kinase modulation, and indications therefor PLEXXIKON, INC. (US) 2011-01-18 — — US disclosed
US-7872018-B2 Compounds and methods for kinase modulation, and indications therefor PLEXXIKON, INC. (US) 2011-01-18 — — US disclosed
US-20080221148-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC 2008-09-11 — — US disclosed
US-20080221148-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC 2008-09-11 — — US disclosed
US-20080221148-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC 2008-09-11 — — US disclosed
WO-2008080001-A2 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON, INC. (US) 2008-07-03 — — 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-20080221148-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR MAP3K20, MAP3K13, MAP3K8 BRAF 48/4885KDR 1084/4885LCK 109/4885

“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.