SCHEMBL12675337

SCHEMBL12675337

COc1ccc(CNc2ncc(C=O)s2)cn1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
FYN P06241 6/20 0.47
ADORA2A P29274 4/20 0.42
ADORA2B P29275 1/20 0.41
KDM1A O60341 1/20 0.39
MAOA P21397 1/20 0.39
MAOB P27338 1/20 0.39
CYP2C9 P11712 2/20 0.39
CYP2C19 P33261 1/20 0.39
CHRM4 P08173 1/20 0.39
MLLT1 Q03111 1/20 0.38
NAMPT P43490 1/20 0.37
ENPP2 Q13822 1/20 0.37

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
SCHEMBL13713687 0.84 FYN (0.52) FYN
SCHEMBL12674822 0.80 KDM4E (0.50) FYNKDM1AMAOAMAOB
SCHEMBL12674838 0.79 CYP3A4 (0.39) FYN
SCHEMBL12675292 0.78 MEN1 (0.49) FYNADORA2AADORA2BCYP2C9CYP2C19
SCHEMBL12674820 0.78 KDR (0.39) FYNADORA2AKDM1AMAOAMAOB
SCHEMBL12675335 0.77 ADORA2A (0.41) ADORA2AKDM1AMAOAMAOBCYP2C9
SCHEMBL1884545 0.77 CYP2C9 (0.50) ADORA2AADORA2BKDM1AMAOAMAOB
SCHEMBL12675345 0.77 CYP3A4 (0.42) FYNCHRM4
SCHEMBL2599916 0.74 KMT2A (0.44) ADORA2AKDM1AMAOAMAOBCYP2C9
SCHEMBL12675349 0.72 HTR2A (0.41) FYNKDM1AMAOAMAOBCYP2C9

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 3 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-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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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-20140045840-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR KIT, FLT3, BRAF FYN 8/4885ADORA2A 2539/4885ADORA2B 2912/4885

“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.