SCHEMBL16017307

SCHEMBL16017307

CCc1nc(-c2ccc(NCc3c(F)cc(C)cc3F)cc2)c(C)s1

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.36
MAPK14 Q16539 7/20 0.36
ALDH1A1 P00352 3/20 0.36
GAA P10253 1/20 0.36
MAPT P10636 1/20 0.36
RAB9A P51151 1/20 0.36
PTGS1 P23219 1/20 0.36
PTGS2 P35354 1/20 0.36
REN P00797 1/20 0.35
APEX1 P27695 1/20 0.35
PKM P14618 1/20 0.34
POLB P06746 1/20 0.34
GHSR Q92847 2/20 0.34
CCNE1 P24864 1/20 0.33
CDK2 P24941 1/20 0.33
MPL P40238 1/20 0.33
ACKR3 P25106 1/20 0.32

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
SCHEMBL14887603 0.93 REN (0.40) SMN1; SMN2MAPK14ALDH1A1GAAMAPT
SCHEMBL14887607 0.89 MEN1 (0.38) SMN1; SMN2MAPK14ALDH1A1GAAMAPT
SCHEMBL14887604 0.88 SMN1; SMN2 (0.36) SMN1; SMN2MAPK14ALDH1A1GAAMAPT
SCHEMBL16017305 0.86 ALDH1A1 (0.43) SMN1; SMN2MAPK14ALDH1A1GAAMAPT
SCHEMBL14887600 0.81 MEN1 (0.47) SMN1; SMN2ALDH1A1GAAMAPTAPEX1
SCHEMBL16017439 0.79 ALDH1A1 (0.43) SMN1; SMN2MAPK14ALDH1A1GAAMAPT
SCHEMBL14879688 0.75 MPL (0.39) ALDH1A1GAAMAPTRAB9APTGS1
SCHEMBL16017301 0.75 ALDH1A1 (0.43) SMN1; SMN2ALDH1A1GAAMAPTRAB9A
SCHEMBL14879431 0.71 STIM1 (0.38) SMN1; SMN2ALDH1A1GAAMAPTRAB9A
SCHEMBL14887602 0.71 STIM1 (0.37) MAPK14ALDH1A1GAAMAPTRAB9A

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-20140256771-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA, INC. 2014-09-11 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-20140256771-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM ORAI1, SARAF, RYR2 SMN1; SMN2 854/4885MAPK14 2933/4885ALDH1A1 4409/4885

“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.