SCHEMBL298331

SCHEMBL298331

CNC(=O)c1ccc(-c2cnc3[nH]ccc3c2)cn1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK8 P49336 9/20 0.67
RIPK1 Q13546 4/20 0.58
CDK7 P50613 2/20 0.55
PLK4 O00444 2/20 0.55
ROCK2 O75116 2/20 0.55
PRKD3 O94806 2/20 0.55
MAP4K4 O95819 2/20 0.55
INSR P06213 2/20 0.55
CDK1 P06493 2/20 0.55
ROS1 P08922 2/20 0.55
FER P16591 2/20 0.55
CDK2 P24941 2/20 0.55
MARK3 P27448 2/20 0.55
FLT4 P35916 2/20 0.55
KDR P35968 2/20 0.55
SYK P43405 2/20 0.55
MAPK8 P45983 2/20 0.55
CSNK1D P48730 2/20 0.55
CLK2 P49760 2/20 0.55
BLK P51451 2/20 0.55

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
SCHEMBL294447 0.86 CDK8 (0.69) CDK8RIPK1CDK7PLK4ROCK2
SCHEMBL298930 0.82 RIPK1 (0.53) CDK8RIPK1CDK7PLK4ROCK2
SCHEMBL29004632 0.80 CDK8 (1.00) CDK8RIPK1CDK7PLK4ROCK2
SCHEMBL4831501 0.77 CDK8 (0.81) CDK8RIPK1CDK7PLK4ROCK2
SCHEMBL298301 0.77 CDK8 (0.68) CDK8RIPK1CDK7PLK4ROCK2
SCHEMBL4167250 0.74 RIPK1 (0.59) CDK8RIPK1CDK7PLK4ROCK2
SCHEMBL3348987 0.74 RIPK1 (0.67) CDK8RIPK1CDK7PLK4ROCK2
SCHEMBL858525 0.73 RIPK1 (1.00) CDK8RIPK1CDK7PLK4ROCK2
SCHEMBL22978455 0.73 RIPK1 (1.00) CDK8RIPK1CDK7PLK4ROCK2
SCHEMBL410298 0.73 RIPK1 (0.71) CDK8RIPK1CDK7PLK4ROCK2

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 16 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-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-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-2427433-A1 SOLID FORMS OF SULFONAMIDES AND AMINO ACIDS Plexxikon, Inc. (US) 2012-03-14 EP disclosed
WO-2010129570-A1 SOLID FORMS OF SULFONAMIDES AND AMINO ACIDS 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
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
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 CDK8 271/4885RIPK1 637/4885CDK7 300/4885
US-20100286142-A1 Compounds and Methods for Kinase Modulation, and Indications Therefor BRAF, ARAF, RAF1 CDK8 136/4885RIPK1 660/4885CDK7 280/4885
US-20120245174-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR BRAF, ARAF, RAF1 CDK8 136/4885RIPK1 660/4885CDK7 280/4885

“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.