SCHEMBL22096837

SCHEMBL22096837

CC(C)(C)c1nccc(C#N)c1F

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
EGLN2 Q96KS0 7/20 0.36
CDK1 P06493 1/20 0.33
KDR P35968 1/20 0.33
AAK1 Q2M2I8 2/20 0.32
CXCR2 P25025 1/20 0.32
ROCK2 O75116 2/20 0.32
ROCK1 Q13464 2/20 0.32
CDC42BPA Q5VT25 2/20 0.32
CDC42BPB Q9Y5S2 2/20 0.32
LRRK2 Q5S007 2/20 0.31
ALDH1A1 P00352 2/20 0.30
SMN1; SMN2 Q16637 2/20 0.30
KDM4E B2RXH2 1/20 0.30
GAA P10253 1/20 0.30
AR P10275 1/20 0.30
LMNA P02545 1/20 0.30
HPGD P15428 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
SCHEMBL1721407 0.83 EGLN2 (0.37) EGLN2LRRK2SMN1; SMN2KDM4EAR
SCHEMBL13058728 0.79 ALDH1A1 (0.36) CDK1KDRROCK2ROCK1CDC42BPA
SCHEMBL27270574 0.79 AR (0.38) CDK1KDRAAK1ROCK2ROCK1
SCHEMBL21709820 0.78 ALDH1A1 (0.35) CDK1KDRAAK1ROCK2ROCK1
SCHEMBL22096839 0.78 CDK1 (0.35) CDK1KDRAAK1ROCK2ROCK1
SCHEMBL13058508 0.78 AR (0.39) CDK1KDRLRRK2ALDH1A1SMN1; SMN2
SCHEMBL2838568 0.75 AAK1 (0.39) EGLN2AAK1ROCK2ROCK1CDC42BPA
SCHEMBL19745530 0.74 EGLN2 (0.41) EGLN2ROCK2ROCK1CDC42BPACDC42BPB
SCHEMBL21718451 0.74 CXCR2 (0.30) CXCR2
SCHEMBL13058512 0.74 CDK1 (0.31) CDK1KDR

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 EGLN2 281/4885CDK1 3645/4885KDR 1432/4885
US-10875839-B2 Somatostatin modulators and uses thereof SSTR5, SSTR2, SSTR4 EGLN2 281/4885CDK1 3645/4885KDR 1432/4885

“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.