SCHEMBL7743849

SCHEMBL7743849

CSc1c[nH]c2nccnc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 3/20 0.50
▸ CDK2 P24941 3/20 0.36
▸ CDK5 Q00535 3/20 0.36
▸ AURKA O14965 2/20 0.36
▸ ROCK2 O75116 2/20 0.36
▸ CDK1 P06493 2/20 0.36
▸ FGFR1 P11362 2/20 0.36
▸ PRKACA P17612 2/20 0.36
▸ RPS6KB1 P23443 2/20 0.36
▸ MARK3 P27448 2/20 0.36
▸ FLT4 P35916 2/20 0.36
▸ CSNK1D P48730 2/20 0.36
▸ GSK3A P49840 2/20 0.36
▸ GSK3B P49841 2/20 0.36
▸ DYRK1A Q13627 2/20 0.36
▸ MARK2 Q7KZI7 2/20 0.36
▸ AURKB Q96GD4 2/20 0.36
▸ PRKD2 Q9BZL6 2/20 0.36
▸ PLK4 O00444 1/20 0.36
▸ DCLK1 O15075 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
SCHEMBL1701301 0.72 CA12 (0.33) MAPK1CDK2CDK5CCNT1CCNA2
SCHEMBL4878480 0.71 MAPK1 (0.56) MAPK1CDK5CDK1GSK3AGSK3B
SCHEMBL22766344 0.71 PSMD14 (0.44) MAPK1GSK3BPRKD2PRKD3FLT3
SCHEMBL11612594 0.71 AXL (0.55) CDK2CDK5ROCK2PRKACAGSK3B
SCHEMBL11846598 0.69 KDM5A (0.41) MAPK1CDK2CDK5AURKAROCK2
SCHEMBL12146873 0.69 HTR2A (0.43) MAPK1CDK2CDK5AURKAROCK2
SCHEMBL31150717 0.67 MAPK1 (0.56) MAPK1CDK2CDK5ROCK2CDK1
SCHEMBL20118242 0.67 MAPK1 (0.56) MAPK1CDK2CDK5CDK1GSK3A
SCHEMBL10072161 0.67 MAPK1 (0.56) MAPK1CDK5CDK1GSK3AGSK3B
SCHEMBL30828747 0.67 MAPK1 (0.56) MAPK1CDK2ROCK2PRKACAGSK3B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8119637-B2 Substituted pyrrolo[2,3-b]pyrazines and methods for kinase modulation, and indications therefor PLEXXIKON INC. (US) 2012-02-21 — — US disclosed
US-8110576-B2 Pyrrolo(2,3-b)pyrazine compounds; Raf kinase inhibitors including A-Raf, B-Raf and/or c-Raf-1 oncogenes; melanoma, colorectal cancer, thyroid cancer, ovarian cancer, cholangiocarcinoma, pain or polycystic kidney disease PLEXXIKON INC. (US) 2012-02-07 — — US disclosed
US-20090306086-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON, INC. 2009-12-10 — — US disclosed
US-20090306087-A1 Compounds and Methods for Kinase Modulation, and Indications Therefor PLEXXIKON, INC. 2009-12-10 — — 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 (2 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-20090306087-A1 Compounds and Methods for Kinase Modulation, and Indications Therefor BRAF, PRKACA, RAF1 MAPK1 79/4885CDK2 237/4885CDK5 343/4885
US-20090306086-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PRKACA, KIT, FLT3 MAPK1 143/4885CDK2 71/4885CDK5 177/4885

“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.

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