SCHEMBL23717826

SCHEMBL23717826

CCc1ccc(NC)nc1C(F)(F)F

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN5A Q14524 2/20 0.44
KCNH2 Q12809 1/20 0.44
CACNA1C Q13936 1/20 0.38
NCF1 P14598 1/20 0.36
ALDH1A1 P00352 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C19 P33261 1/20 0.36
XPO1 O14980 2/20 0.35
MCHR1 Q99705 1/20 0.34
KDM5B Q9UGL1 1/20 0.34
JAK2 O60674 1/20 0.32
JAK1 P23458 1/20 0.32
IDH1 O75874 1/20 0.32
KDM4E B2RXH2 1/20 0.31
RET P07949 1/20 0.31
KDR P35968 1/20 0.31
PTGS2 P35354 1/20 0.31
AR P10275 1/20 0.31
PARP1 P09874 1/20 0.30

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
SCHEMBL21859806 0.84 CACNA1C (0.52) SCN5AKCNH2CACNA1CXPO1IDH1
SCHEMBL22871165 0.79 NCF1 (0.39) SCN5AKCNH2NCF1ALDH1A1CYP1A2
SCHEMBL22400192 0.76 KDM4E (0.33) SCN5ACACNA1CALDH1A1KDM5BKDM4E
SCHEMBL29014798 0.76 NCF1 (0.39) NCF1ALDH1A1CYP1A2CYP3A4CYP2C19
SCHEMBL21092514 0.74 GABRA1 (0.43) SCN5ACACNA1CKDM5BKDM4E
Hydrochloric Acid SCHEMBL29005160 0.74 NCF1 (0.38) NCF1ALDH1A1CYP1A2CYP3A4CYP2C19
SCHEMBL22400174 0.74 GABRP (0.40) ALDH1A1KDM5BKDM4E
SCHEMBL21725531 0.73 ALDH1A1 (0.33) SCN5AKCNH2NCF1ALDH1A1CYP1A2
SCHEMBL25702915 0.73 CYP1A2 (0.43) SCN5AKCNH2CACNA1CNCF1ALDH1A1
SCHEMBL21859512 0.71 PDE10A (0.41) KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11566015-B2 Melanocortin subtype-2 receptor (MC2R) antagonists and uses thereof Crinetics Pharmaceuticals, Inc. (US) 2023-01-31 US disclosed
US-20210238164-A1 MELANOCORTIN SUBTYPE-2 RECEPTOR (MC2R) ANTAGONISTS AND USES THEREOF Crinetics Pharmaceuticals, Inc. 2021-08-05 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-11566015-B2 Melanocortin subtype-2 receptor (MC2R) antagonists and uses thereof MC3R, MC1R, MC2R SCN5A 1149/4885KCNH2 3399/4885CACNA1C 1511/4885
US-20210238164-A1 MELANOCORTIN SUBTYPE-2 RECEPTOR (MC2R) ANTAGONISTS AND USES THEREOF MC3R, MC1R, MC2R SCN5A 1149/4885KCNH2 3399/4885CACNA1C 1511/4885

“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.