SCHEMBL25136172

SCHEMBL25136172

Cc1cc(C(=O)N[C@H]2CC[C@H](C(F)F)CC2)nc(-c2cncn2C)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR2 O95136 1/20 0.38
SMYD3 Q9H7B4 1/20 0.35
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34
TSHR P16473 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
CD38 P28907 3/20 0.34
DPP4 P27487 2/20 0.34
ALDH1A1 P00352 1/20 0.34
HPGD P15428 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
IDO1 P14902 1/20 0.34
CYP2B6 P20813 1/20 0.34
KCNH2 Q12809 1/20 0.34
GPR142 Q7Z601 1/20 0.34
GSK3B P49841 3/20 0.34
DYRK1A Q13627 3/20 0.34
WNT1 P04628 2/20 0.34
HPGDS O60760 1/20 0.34

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
SCHEMBL30363585 1.00 S1PR2 (0.38) S1PR2SMYD3NPC1RAB9ATSHR
SCHEMBL30363781 0.88 CD38 (0.44) SMYD3NPC1RAB9ATSHRSMN1; SMN2
SCHEMBL29182198 0.88 CD38 (0.44) SMYD3NPC1RAB9ATSHRSMN1; SMN2
SCHEMBL25136114 0.88 CD38 (0.44) SMYD3NPC1RAB9ATSHRSMN1; SMN2
SCHEMBL25136247 0.86 CD38 (0.41) CD38CYP3A4CYP2D6IDO1CYP2B6
SCHEMBL25136297 0.86 ALDH1A1 (0.40) S1PR2SMYD3NPC1RAB9ATSHR
SCHEMBL29182201 0.86 ALDH1A1 (0.40) S1PR2SMYD3NPC1RAB9ATSHR
SCHEMBL25136188 0.86 ALDH1A1 (0.40) S1PR2SMYD3NPC1RAB9ATSHR
SCHEMBL25136474 0.84 CD38 (0.50) S1PR2CD38CYP2D6CYP2B6GSK3B
SCHEMBL30363631 0.84 CD38 (0.50) S1PR2CD38CYP2D6CYP2B6GSK3B

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 S1PR2 412/4885SMYD3 2117/4885NPC1 2619/4885

“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.