SCHEMBL21709820

SCHEMBL21709820

CC(C)(C)c1nccc(C#N)c1N

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.35
KDM4E B2RXH2 3/20 0.35
MAPT P10636 2/20 0.35
AAK1 Q2M2I8 2/20 0.33
CDK1 P06493 1/20 0.33
KDR P35968 1/20 0.33
HTT P42858 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
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
NOS3 P29474 1/20 0.31
NOS2 P35228 1/20 0.31
CSNK1A1 P48729 1/20 0.31
CLK4 Q9HAZ1 1/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL22096894 0.81 NOS3 (0.31) NOS3NOS2
SCHEMBL27270574 0.79 AR (0.38) ALDH1A1AAK1CDK1KDRROCK2
SCHEMBL13058728 0.79 ALDH1A1 (0.36) ALDH1A1KDM4ECDK1KDRHTT
SCHEMBL22096839 0.78 CDK1 (0.35) ALDH1A1AAK1CDK1KDRROCK2
SCHEMBL22096837 0.78 EGLN2 (0.36) ALDH1A1KDM4EAAK1CDK1KDR
SCHEMBL13058508 0.78 AR (0.39) ALDH1A1CDK1KDRMEN1KMT2A
SCHEMBL11213696 0.75 NOS3 (0.39) ALDH1A1KDM4EROCK2ROCK1CDC42BPA
SCHEMBL27958206 0.74 NOS3 (0.46) ALDH1A1KDM4EMEN1KMT2ANOS3
SCHEMBL13058512 0.74 CDK1 (0.31) CDK1KDR
SCHEMBL2739649 0.73 HPGD (0.45) ALDH1A1KDM4EMAPTCDK1KDR

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10889561-B2 Process of making somatostatin modulators Crinetics Pharmaceuticals, Inc. (US) 2021-01-12 US disclosed
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
US-20200048219-A1 PROCESS OF MAKING SOMATOSTATIN MODULATORS Crinetics Pharmaceuticals, Inc. 2020-02-13 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 (4 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 ALDH1A1 4626/4885KDM4E 4554/4885MAPT 3109/4885
US-20200048219-A1 PROCESS OF MAKING SOMATOSTATIN MODULATORS SSTR5, SSTR4, SSTR2 ALDH1A1 4601/4885KDM4E 4360/4885MAPT 3475/4885
US-10875839-B2 Somatostatin modulators and uses thereof SSTR5, SSTR2, SSTR4 ALDH1A1 4626/4885KDM4E 4554/4885MAPT 3109/4885
US-10889561-B2 Process of making somatostatin modulators SSTR5, SSTR4, SSTR2 ALDH1A1 4601/4885KDM4E 4360/4885MAPT 3475/4885

“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.