SCHEMBL19779871

SCHEMBL19779871

CCCC(C)c1cncc(C#N)c1NCCOC

nearest known ligand 0.34

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CTSK P43235 1/20 0.34
▸ SMN1; SMN2 Q16637 4/20 0.32
▸ ENPP1 P22413 1/20 0.32
▸ PRKCQ Q04759 6/20 0.32
▸ PRKCD Q05655 4/20 0.32
▸ FGFR4 P22455 2/20 0.31
▸ KDM4E B2RXH2 3/20 0.31
▸ ALDH1A1 P00352 3/20 0.31
▸ GAA P10253 3/20 0.31
▸ HPGD P15428 3/20 0.31
▸ NPC1 O15118 2/20 0.31
▸ RAB9A P51151 2/20 0.31
▸ CDK5 Q00535 2/20 0.31
▸ CDK5R1 Q15078 2/20 0.31
▸ CCNB2 O95067 1/20 0.31
▸ CDK1 P06493 1/20 0.31
▸ CCNB1 P14635 1/20 0.31
▸ CCNB3 Q8WWL7 1/20 0.31
▸ TP53 P04637 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
SCHEMBL19769046 0.86 CTSK (0.38) CTSKSMN1; SMN2ENPP1PRKCQPRKCD
SCHEMBL19880529 0.76 ALDH1A1 (0.38) CTSKSMN1; SMN2ENPP1PRKCQPRKCD
SCHEMBL19781763 0.75 SMN1; SMN2 (0.40) CTSKSMN1; SMN2ENPP1PRKCQPRKCD
SCHEMBL22096880 0.73 SMN1; SMN2 (0.35) CTSKSMN1; SMN2ENPP1PRKCQPRKCD
SCHEMBL21883550 0.72 KDM4E (0.32) KDM4EALDH1A1GAA
SCHEMBL20621262 0.68 RIPK1 (0.34) CTSKGAA
SCHEMBL29980078 0.67 ENPP1 (0.40) CTSKSMN1; SMN2ENPP1FGFR4KDM4E
SCHEMBL19630056 0.67 ENPP1 (0.40) CTSKSMN1; SMN2ENPP1FGFR4KDM4E
SCHEMBL19779566 0.64 CDK5 (0.38) CTSKKDM4EALDH1A1NPC1CDK5
SCHEMBL21883761 0.62 — —

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-20180016252-A1 SOMATOSTATIN MODULATORS AND USES THEREOF Crinetics Pharmaceuticals, Inc. 2018-01-18 — — 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-20180016252-A1 SOMATOSTATIN MODULATORS AND USES THEREOF SSTR5, SSTR2, SSTR4 CTSK 617/4885SMN1; SMN2 1197/4885ENPP1 573/4885

“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.

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