SCHEMBL2888458

SCHEMBL2888458

NC(=O)c1ccc(F)c(C(=O)c2c[nH]c3nccc(Cl)c23)c1F

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 11/20 0.60
LRRK2 Q5S007 2/20 0.47
PLK4 O00444 2/20 0.47
MAP4K4 O95819 2/20 0.47
ABL1 P00519 2/20 0.47
KDR P35968 2/20 0.47
MAP2K2 P36507 2/20 0.47
FRK P42685 2/20 0.47
CDK8 P49336 2/20 0.47
CLK2 P49760 2/20 0.47
CSNK1G2 P78368 2/20 0.47
MAP2K1 Q02750 2/20 0.47
MINK1 Q8N4C8 2/20 0.47
HIPK4 Q8NE63 2/20 0.47
AURKB Q96GD4 2/20 0.47
SLK Q9H2G2 2/20 0.47
HIPK2 Q9H2X6 2/20 0.47
MAP3K20 Q9NYL2 2/20 0.47
MAP4K5 Q9Y4K4 2/20 0.47
CDC7 O00311 1/20 0.47

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
SCHEMBL297561 0.87 CYP3A4 (0.61) CYP3A4LRRK2PLK4MAP4K4ABL1
SCHEMBL16740698 0.86 LRRK2 (0.47) CYP3A4LRRK2PLK4MAP4K4ABL1
SCHEMBL12520259 0.85 CYP3A4 (0.56) CYP3A4CYP2C9CYP2C19CYP1A2
SCHEMBL2888193 0.84 CYP3A4 (0.61) CYP3A4LRRK2CYP2C9CYP2C19BRAF
SCHEMBL12521698 0.84 CYP3A4 (0.44) CYP3A4CYP2C9CYP2C19BRAF
SCHEMBL24672390 0.84 CDK8 (0.62) CYP3A4LRRK2PLK4MAP4K4ABL1
SCHEMBL30668776 0.84 CDK8 (0.62) CYP3A4LRRK2PLK4MAP4K4ABL1
SCHEMBL12521644 0.84 CYP2C19 (0.45) CYP3A4PLK4MAP4K4ABL1KDR
SCHEMBL2888690 0.84 CYP3A4 (0.61) CYP3A4CDK2CDK9CDK5CYP2C9
SCHEMBL3705714 0.84 CYP3A4 (0.51) CYP3A4CYP2C9CYP2C19BRAFCYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120245174-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC. 2012-09-27 US claimed
US-20100286142-A1 Compounds and Methods for Kinase Modulation, and Indications Therefor PLEXXIKON, INC. 2010-11-11 US claimed
US-20120245174-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC. 2012-09-27 US disclosed
US-8198273-B2 Compounds and methods for kinase modulation, and indications therefor PLEXXIKON INC. (US) 2012-06-12 US disclosed
US-20120122860-A1 SOLID FORMS OF SULFONAMIDES AND AMINO ACIDS PLEXXIKON, INC. 2012-05-17 US disclosed
WO-2010129567-A1 PYRROLO [2, 3. B] PYRIDINES WHICH INHIBIT RAF PROTEIN KINASE PLEXXIKON, INC. (US) 2010-11-11 WO disclosed
WO-2010129570-A1 SOLID FORMS OF SULFONAMIDES AND AMINO ACIDS PLEXXIKON, INC. (US) 2010-11-11 WO disclosed
US-20100286142-A1 Compounds and Methods for Kinase Modulation, and Indications Therefor PLEXXIKON, INC. 2010-11-11 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 (3 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-20120122860-A1 SOLID FORMS OF SULFONAMIDES AND AMINO ACIDS BRAF, RAF1, ARAF CYP3A4 3611/4885LRRK2 1249/4885PLK4 178/4885
US-20100286142-A1 Compounds and Methods for Kinase Modulation, and Indications Therefor BRAF, ARAF, RAF1 CYP3A4 2892/4885LRRK2 702/4885PLK4 590/4885
US-20120245174-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR BRAF, ARAF, RAF1 CYP3A4 2892/4885LRRK2 702/4885PLK4 590/4885

“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.