SCHEMBL179342

SCHEMBL179342

CC(C)(C)c1ncnc(N)c1C#N

nearest known ligand 0.44

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 10/20 0.44
DYRK1A Q13627 1/20 0.41
KDM4E B2RXH2 1/20 0.39
RXFP1 Q9HBX9 1/20 0.34
CCNA2 P20248 1/20 0.34
CDK2 P24941 1/20 0.34
CCNA1 P78396 1/20 0.34

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
SCHEMBL890661 0.79 LRRK2 (0.50) LRRK2DYRK1AKDM4ERXFP1CCNA2
SCHEMBL13020443 0.78 KDM4E (0.32) LRRK2KDM4E
SCHEMBL13058597 0.74 SQOR (0.40)
SCHEMBL12186825 0.74 LRRK2 (0.47) LRRK2DYRK1AKDM4ERXFP1CCNA2
SCHEMBL13828431 0.71 LRRK2 (0.45) LRRK2DYRK1AKDM4ECCNA2CDK2
SCHEMBL22030038 0.71 ALDH1A1 (0.40) KDM4ECCNA2CDK2CCNA1
SCHEMBL24714020 0.69 PI4KA (0.36) KDM4E
SCHEMBL12957026 0.69 LRRK2 (0.43) LRRK2DYRK1AKDM4ERXFP1CCNA2
SCHEMBL16783455 0.69 DYRK1A (0.49) LRRK2DYRK1AKDM4ERXFP1CCNA2
SCHEMBL31265625 0.69 LRRK2 (0.43) LRRK2DYRK1AKDM4ERXFP1CCNA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9840498-B2 Substituted quinazolin-4-one derivatives NOVARTIS AG (CH) 2017-12-12 US disclosed
US-9738644-B2 Chemical compounds, compositions and methods for kinase modulation INFINITY PHARMACEUTICALS, INC. (US) 2017-08-22 US disclosed
US-9738644-B2 Chemical compounds, compositions and methods for kinase modulation INFINITY PHARMACEUTICALS, INC. (US) 2017-08-22 US disclosed
US-9499523-B2 Phosphatidylinositol 3-kinase inhibitors GILEAD SCIENCES, INC. (US) 2016-11-22 US disclosed
US-20160016957-A1 CHEMICAL COMPOUNDS, COMPOSITIONS AND METHODS FOR KINASE MODULATION INFINITY PHARMACEUTICALS, INC. 2016-01-21 US disclosed
US-20150361071-A1 PHOSPHATIDYLINOSITOL 3-KINASE INHIBITORS GILEAD SCIENCES, INC. 2015-12-17 US disclosed
US-9181221-B2 Chemical compounds, compositions and methods for kinase modulation INFINITY PHARMACEUTICALS, INC. (US) 2015-11-10 US disclosed
US-20140088099-A1 CHEMICAL COMPOUNDS, COMPOSITIONS AND METHODS FOR KINASE MODULATION INFINITY PHARMACEUTICALS, INC. (US) 2014-03-27 US disclosed
US-20120059000-A1 CHEMICAL COMPOUNDS, COMPOSITIONS AND METHODS FOR KINASE MODULATION INFINITY PHARMACEUTICALS, INC. 2012-03-08 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 (4 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-20120059000-A1 CHEMICAL COMPOUNDS, COMPOSITIONS AND METHODS FOR KINASE MODULATION MAP3K13, AKT3, PIK3CA LRRK2 613/4885DYRK1A 1201/4885KDM4E 2229/4885
US-20140088099-A1 CHEMICAL COMPOUNDS, COMPOSITIONS AND METHODS FOR KINASE MODULATION MAP3K13, AKT3, PIK3CA LRRK2 613/4885DYRK1A 1201/4885KDM4E 2229/4885
US-20150361071-A1 PHOSPHATIDYLINOSITOL 3-KINASE INHIBITORS PIK3CA, AKT3, PIK3CD LRRK2 467/4885DYRK1A 477/4885KDM4E 3419/4885
US-20160016957-A1 CHEMICAL COMPOUNDS, COMPOSITIONS AND METHODS FOR KINASE MODULATION MAP3K13, AKT3, PIK3CA LRRK2 613/4885DYRK1A 1201/4885KDM4E 2229/4885

“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.