SCHEMBL295032

SCHEMBL295032

CCN(CC)CC#Cc1ccc(-c2cnc3[nH]ccc3c2)cn1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 4/20 0.47
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
CDK8 P49336 8/20 0.46
AXL P30530 2/20 0.46
PIK3CA P42336 2/20 0.45
PIK3CD O00329 1/20 0.45
PIK3CB P42338 1/20 0.45
PIK3CG P48736 1/20 0.45
ITK Q08881 3/20 0.44
BTK Q06187 2/20 0.44
PLK4 O00444 2/20 0.43
ROCK2 O75116 2/20 0.43
PRKD3 O94806 2/20 0.43
MAP4K4 O95819 2/20 0.43
INSR P06213 2/20 0.43
CDK1 P06493 2/20 0.43
ROS1 P08922 2/20 0.43
FER P16591 2/20 0.43

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
SCHEMBL7874255 0.83 RIPK1 (0.49) RIPK1CDK8AXLPIK3CAPIK3CD
SCHEMBL293038 0.81 BRD4 (0.50) RIPK1CDK8AXLPIK3CAPIK3CD
SCHEMBL2886989 0.80 RIPK1 (0.41) RIPK1CDK8AXLPIK3CAPIK3CD
SCHEMBL9908383 0.77 RIPK1 (0.52) RIPK1CDK8AXLPIK3CAPIK3CD
SCHEMBL4831501 0.71 CDK8 (0.81) RIPK1CDK8AXLPIK3CAPIK3CD
SCHEMBL14365346 0.70 RIPK1 (0.65) RIPK1CDK8AXLPIK3CAPIK3CD
SCHEMBL4831625 0.70 CYP2A6 (0.43) RIPK1CDK8AXLPIK3CAPIK3CD
SCHEMBL14365329 0.68 RIPK1 (0.61) RIPK1CDK8AXLPIK3CAPIK3CD
SCHEMBL13854149 0.68 RIPK1 (0.61) RIPK1CDK8AXLPIK3CAPIK3CD
SCHEMBL15871324 0.68 RIPK1 (0.71) RIPK1CDK8AXLPIK3CAPIK3CD

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 13 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
US-20120122860-A1 SOLID FORMS OF SULFONAMIDES AND AMINO ACIDS PLEXXIKON, INC. 2012-05-17 US disclosed
EP-2427462-A1 PYRROLO [2, 3. B]PYRIDINES WHICH INHIBIT RAF PROTEIN KINASE Plexxikon, Inc. (US) 2012-03-14 EP disclosed
EP-2427433-A1 SOLID FORMS OF SULFONAMIDES AND AMINO ACIDS Plexxikon, Inc. (US) 2012-03-14 EP disclosed
WO-2010129567-A1 PYRROLO [2, 3. B] PYRIDINES WHICH INHIBIT RAF PROTEIN KINASE 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
WO-2010129570-A1 SOLID FORMS OF SULFONAMIDES AND AMINO ACIDS PLEXXIKON, INC. (US) 2010-11-11 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 (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 637/4885CYP3A4 3611/4885CYP2D6 3025/4885
US-20100286142-A1 Compounds and Methods for Kinase Modulation, and Indications Therefor BRAF, ARAF, RAF1 RIPK1 660/4885CYP3A4 2892/4885CYP2D6 2083/4885
US-20120245174-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR BRAF, ARAF, RAF1 RIPK1 660/4885CYP3A4 2892/4885CYP2D6 2083/4885

“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.