SCHEMBL25136164

SCHEMBL25136164

Cc1cc(C(=O)NC2CCC(F)(F)CC2)nc(-c2cncn2C)n1

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 9/20 0.46
DYRK1A Q13627 9/20 0.46
WNT1 P04628 3/20 0.46
KDM1A O60341 5/20 0.46
CD38 P28907 2/20 0.45
MAOB P27338 2/20 0.43
CNR1 P21554 1/20 0.41
ABCB1 P08183 1/20 0.38
ACKR3 P25106 1/20 0.38
SCN9A Q15858 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
SCHEMBL25136182 0.88 SCN9A (0.45) GSK3BDYRK1AWNT1KDM1ACD38
SCHEMBL25474638 0.88 ALDH1A1 (0.47) CD38CNR1
SCHEMBL25135997 0.87 GSK3B (0.43) GSK3BDYRK1AWNT1KDM1ACD38
SCHEMBL30363954 0.86 CD38 (0.43) CD38CNR1
SCHEMBL29182188 0.86 CD38 (0.43) CD38CNR1
SCHEMBL25136180 0.86 CD38 (0.43) CD38CNR1
SCHEMBL25136420 0.86 GSK3B (0.39) GSK3BDYRK1AWNT1
SCHEMBL25136113 0.85 CD38 (0.59) GSK3BDYRK1AWNT1KDM1ACD38
SCHEMBL25135979 0.85 GSK3B (0.41) GSK3BDYRK1AWNT1KDM1ACD38
SCHEMBL25136297 0.84 ALDH1A1 (0.40) GSK3BDYRK1AWNT1CD38

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230116972-A1 CD38 MODULATORS AND METHODS OF USE THEREOF CYTOKINETICS, INC. 2023-04-20 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-20230116972-A1 CD38 MODULATORS AND METHODS OF USE THEREOF CD38, CXCR4, FCGRT GSK3B 395/4885DYRK1A 1430/4885WNT1 3499/4885

“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.