SCHEMBL12640370

SCHEMBL12640370

Cc1cc(C=O)cnc1NCc1cncc(F)c1

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PDPK1 O15530 1/20 0.37
DYRK1A Q13627 1/20 0.36
CLK4 Q9HAZ1 1/20 0.36
ALDH1A1 P00352 1/20 0.35
ADORA2B P29275 6/20 0.35
CYP2C9 P11712 2/20 0.34
NAMPT P43490 2/20 0.34
ADORA2A P29274 5/20 0.34
MAPK1 P28482 1/20 0.34
GRIN1 Q05586 3/20 0.33
GRIN2B Q13224 3/20 0.33
ADORA1 P30542 1/20 0.33
CYP3A4 P08684 1/20 0.33
NOS1 P29475 1/20 0.33

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
SCHEMBL12675604 0.86 PDPK1 (0.38) PDPK1DYRK1ACLK4ALDH1A1ADORA2B
SCHEMBL12640336 0.81 ALDH1A1 (0.42) PDPK1DYRK1ACLK4ALDH1A1ADORA2B
SCHEMBL2599996 0.80 ADORA2B (0.41) PDPK1DYRK1ACLK4ALDH1A1ADORA2B
SCHEMBL12640368 0.78 PIK3CA (0.47) ALDH1A1CYP3A4
SCHEMBL12640358 0.76 CYP2C9 (0.43) PDPK1DYRK1ACLK4ALDH1A1ADORA2B
SCHEMBL12640366 0.75 CYP3A4 (0.44) ALDH1A1CYP2C9MAPK1CYP3A4
SCHEMBL12640373 0.74 KDM4E (0.51) DYRK1ACLK4ALDH1A1CYP3A4
SCHEMBL12640377 0.73 CYP2C9 (0.47) CYP2C9CYP3A4
SCHEMBL2599924 0.72 CYP3A4 (0.45) ALDH1A1ADORA2BCYP2C9NAMPTADORA2A
SCHEMBL19910474 0.72 NOS1 (0.41) PDPK1ALDH1A1ADORA2BCYP2C9NAMPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9096593-B2 Compounds and methods for kinase modulation, and indications therefor PLEXXIKON INC. (US) 2015-08-04 US disclosed
US-9096593-B2 Compounds and methods for kinase modulation, and indications therefor PLEXXIKON INC. (US) 2015-08-04 US disclosed
US-20140045840-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC. (US) 2014-02-13 US disclosed
US-20140045840-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC. (US) 2014-02-13 US disclosed
WO-2011057022-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON, INC. (US) 2011-05-12 WO disclosed
US-20110112127-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON, INC. 2011-05-12 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-20110112127-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR KIT, FLT3, BRAF PDPK1 296/4885DYRK1A 584/4885CLK4 1047/4885
US-20140045840-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR KIT, FLT3, BRAF PDPK1 296/4885DYRK1A 584/4885CLK4 1047/4885

“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.