SCHEMBL16017299

SCHEMBL16017299

Cc1nc(-c2ccc(NCc3ccccc3C)cc2)c(C)s1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.44
ALDH1A1 P00352 1/20 0.44
CCNE1 P24864 6/20 0.41
CDK2 P24941 6/20 0.41
HIF1A Q16665 1/20 0.40
MAPT P10636 2/20 0.39
FYN P06241 1/20 0.38
DCTPP1 Q9H773 1/20 0.38
LMNA P02545 1/20 0.38
GAA P10253 2/20 0.38
KDM4E B2RXH2 1/20 0.38
ACHE P22303 1/20 0.38
MAPK1 P28482 1/20 0.37
ELANE P08246 1/20 0.37
TGFBR1 P36897 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
SCHEMBL16017303 0.87 MEN1 (0.50) HPGDALDH1A1CCNE1CDK2MAPT
SCHEMBL14879755 0.84 PTGS2 (0.42) HPGDCCNE1CDK2HIF1AMAPT
SCHEMBL16017352 0.80 ALDH1A1 (0.41) HPGDALDH1A1MAPTGAAKDM4E
SCHEMBL16017301 0.77 ALDH1A1 (0.43) HPGDALDH1A1CCNE1CDK2MAPT
SCHEMBL16017439 0.74 ALDH1A1 (0.43) HPGDALDH1A1CCNE1CDK2MAPT
SCHEMBL16017305 0.74 ALDH1A1 (0.43) HPGDALDH1A1CCNE1CDK2MAPT
SCHEMBL14887600 0.74 MEN1 (0.47) HPGDALDH1A1CCNE1CDK2MAPT
SCHEMBL14226018 0.73 PFKFB3 (0.44) ALDH1A1MAPTLMNAGAAKDM4E
SCHEMBL14879654 0.73 MEN1 (0.46) HPGDALDH1A1CCNE1CDK2MAPT
SCHEMBL11510867 0.72 MAPT (0.68) HPGDALDH1A1CCNE1CDK2MAPT

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 HPGD 1883/4885ALDH1A1 4409/4885CCNE1 4315/4885

“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.