SCHEMBL22096839

SCHEMBL22096839

CC(C)(C)c1nccc(C#N)c1O

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CDK1 P06493 1/20 0.35
KDR P35968 1/20 0.35
ROCK2 O75116 2/20 0.32
ROCK1 Q13464 2/20 0.32
CDC42BPA Q5VT25 2/20 0.32
CDC42BPB Q9Y5S2 2/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
TRPV1 Q8NER1 1/20 0.32
ANO1 Q5XXA6 1/20 0.30
AAK1 Q2M2I8 1/20 0.30
LRRK2 Q5S007 1/20 0.30
AR P10275 1/20 0.30
ALDH1A1 P00352 1/20 0.30
LMNA P02545 1/20 0.30
HPGD P15428 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
NPSR1 Q6W5P4 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
SCHEMBL13058728 0.79 ALDH1A1 (0.36) CDK1KDRROCK2ROCK1CDC42BPA
SCHEMBL27270574 0.79 AR (0.38) CDK1KDRROCK2ROCK1CDC42BPA
SCHEMBL22096837 0.78 EGLN2 (0.36) CDK1KDRROCK2ROCK1CDC42BPA
SCHEMBL13058508 0.78 AR (0.39) CDK1KDRMEN1KMT2ALRRK2
SCHEMBL21709820 0.78 ALDH1A1 (0.35) CDK1KDRROCK2ROCK1CDC42BPA
SCHEMBL1975863 0.75 TSHR (0.35) ROCK2ROCK1CDC42BPACDC42BPBMEN1
SCHEMBL13058512 0.74 CDK1 (0.31) CDK1KDR
SCHEMBL2739649 0.73 HPGD (0.45) CDK1KDRTRPV1LRRK2ALDH1A1
SCHEMBL22096913 0.72 GABRA1 (0.42) KMT2AALDH1A1LMNASMN1; SMN2
SCHEMBL28777820 0.71 TDP1 (0.35) MEN1KMT2AANO1ALDH1A1HPGD

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-10875839-B2 Somatostatin modulators and uses thereof Crinetics Pharmaceuticals, Inc. (US) 2020-12-29 US disclosed
US-20200190053-A1 SOMATOSTATIN MODULATORS AND USES THEREOF Crinetics Pharmaceuticals, Inc. 2020-06-18 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 (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-20200190053-A1 SOMATOSTATIN MODULATORS AND USES THEREOF SSTR5, SSTR2, SSTR4 CDK1 3645/4885KDR 1432/4885ROCK2 2381/4885
US-10875839-B2 Somatostatin modulators and uses thereof SSTR5, SSTR2, SSTR4 CDK1 3645/4885KDR 1432/4885ROCK2 2381/4885

“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.