SCHEMBL2886989

SCHEMBL2886989

CCN(CC)CC#Cc1cnc2[nH]ccc2c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 2/20 0.41
FGFR2 P21802 1/20 0.40
KDR P35968 3/20 0.39
FGFR1 P11362 1/20 0.39
CDK8 P49336 5/20 0.39
AXL P30530 1/20 0.39
PIK3CG P48736 3/20 0.38
PIK3CD O00329 2/20 0.38
PIK3CA P42336 2/20 0.38
PIK3CB P42338 2/20 0.38
KCNH2 Q12809 1/20 0.38
BTK Q06187 2/20 0.37
ITK Q08881 2/20 0.37
BRD4 O60885 1/20 0.36
ABL1 P00519 1/20 0.36
EGFR P00533 1/20 0.36
HCK P08631 1/20 0.36
SRC P12931 1/20 0.36
MTOR P42345 1/20 0.36
EPHB4 P54760 1/20 0.36

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
SCHEMBL4831625 0.89 CYP2A6 (0.43) RIPK1KDRFGFR1CDK8AXL
SCHEMBL295032 0.80 RIPK1 (0.47) RIPK1KDRFGFR1CDK8AXL
SCHEMBL297547 0.78 KDR (0.47) RIPK1KDRFGFR1CDK8AXL
SCHEMBL17761629 0.76 RIPK1 (0.49) RIPK1KDRFGFR1CDK8AXL
SCHEMBL17616439 0.76 RIPK1 (0.46) RIPK1KDRFGFR1CDK8AXL
SCHEMBL297592 0.74 RIPK1 (0.47) RIPK1KDRFGFR1CDK8AXL
SCHEMBL29543783 0.74 RIPK1 (0.47) RIPK1KDRFGFR1CDK8AXL
SCHEMBL298334 0.73 KDR (0.54) RIPK1KDRFGFR1CDK8AXL
SCHEMBL12324076 0.72 SNCA (0.51) RIPK1CDK8AXLPIK3CGPIK3CD
SCHEMBL1329244 0.72 CDK8 (0.58) RIPK1CDK8AXLPIK3CGPIK3CD

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 10 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 disclosed
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-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
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
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 RIPK1 637/4885FGFR2 219/4885KDR 1406/4885
US-20100286142-A1 Compounds and Methods for Kinase Modulation, and Indications Therefor BRAF, ARAF, RAF1 RIPK1 660/4885FGFR2 431/4885KDR 730/4885
US-20120245174-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR BRAF, ARAF, RAF1 RIPK1 660/4885FGFR2 431/4885KDR 730/4885

“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.