SCHEMBL12388929

SCHEMBL12388929

CCc1ccc2c(NC)n[nH]c2c1

nearest known ligand 0.50

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 14/20 0.50
MAP2K4 P45985 2/20 0.48
KIF11 P52732 1/20 0.44
FGFR1 P11362 1/20 0.41
GRM4 Q14833 1/20 0.41
DYRK1A Q13627 1/20 0.40

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
SCHEMBL12064447 0.87 NTRK1 (0.47) GSK3BGRM4
SCHEMBL27909188 0.80 GSK3B (0.54) GSK3BMAP2K4DYRK1A
SCHEMBL8348438 0.77 KIF11 (0.47) GSK3BMAP2K4KIF11FGFR1DYRK1A
SCHEMBL14942621 0.77 ITK (0.47) GSK3BMAP2K4KIF11DYRK1A
SCHEMBL91579 0.77 PDPK1 (0.55) KIF11FGFR1
SCHEMBL10189221 0.77 KIF11 (0.47) GSK3BMAP2K4KIF11FGFR1GRM4
SCHEMBL12292284 0.76 DYRK1A (0.42) GSK3BMAP2K4DYRK1A
SCHEMBL2926142 0.76 GSK3B (0.51) GSK3BMAP2K4FGFR1DYRK1A
SCHEMBL31032803 0.76 MAP2K4 (0.62) GSK3BMAP2K4
SCHEMBL2261204 0.76 DYRK1A (0.65) GSK3BMAP2K4DYRK1A

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
WO-2023205507-A1 ANDROGEN RECEPTOR MODULATORS AND METHODS FOR THEIR USE ESSA PHARMA INC. (CA) 2023-10-26 WO disclosed
US-7989461-B2 Substituted quinazolinamine compounds for the treatment of cancer AMGEN INC. (US) 2011-08-02 US disclosed
US-20070185324-A1 Nitrogen-containing bicyclic heteroaryl compounds and methods of use AMGEN INC. 2007-08-09 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 (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-20070185324-A1 Nitrogen-containing bicyclic heteroaryl compounds and methods of use BRAF, NRAS, RAF1 GSK3B 229/4885MAP2K4 70/4885KIF11 3671/4885

“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.