Sugi Predict

Sugi Predict / Compounds / SCHEMBL13058728

SCHEMBL13058728

SCHEMBL13058728

CC(C)(C)c1nccc(C#N)c1C#N

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.36
▸ LMNA P02545 2/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ HPGD P15428 2/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.36
▸ CDK1 P06493 1/20 0.33
▸ KDR P35968 1/20 0.33
▸ PGR P06401 1/20 0.33
▸ AR P10275 1/20 0.33
▸ SQOR Q9Y6N5 1/20 0.33
▸ ROCK2 O75116 2/20 0.33
▸ ROCK1 Q13464 2/20 0.33
▸ CDC42BPA Q5VT25 2/20 0.33
▸ CDC42BPB Q9Y5S2 2/20 0.33
▸ KDM4E B2RXH2 2/20 0.31
▸ GAA P10253 1/20 0.31
▸ HTT P42858 1/20 0.31
▸ TDP1 Q9NUW8 1/20 0.31
▸ LRRK2 Q5S007 1/20 0.31
▸ MEN1 O00255 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
SCHEMBL27270574 0.81 AR (0.38) ALDH1A1LMNASMN1; SMN2HPGDNPSR1
SCHEMBL18195530 0.81 ALDH1A1 (0.37) ALDH1A1LMNASMN1; SMN2HPGDNPSR1
SCHEMBL22543788 0.81 SQOR (0.38) ALDH1A1LMNASMN1; SMN2HPGDNPSR1
SCHEMBL21709820 0.79 ALDH1A1 (0.35) ALDH1A1SMN1; SMN2NPSR1CDK1KDR
SCHEMBL22096837 0.79 EGLN2 (0.36) ALDH1A1LMNASMN1; SMN2HPGDNPSR1
SCHEMBL13058508 0.79 AR (0.39) ALDH1A1LMNASMN1; SMN2HPGDNPSR1
SCHEMBL22096839 0.79 CDK1 (0.35) ALDH1A1LMNASMN1; SMN2HPGDNPSR1
SCHEMBL13058625 0.79 LMNA (0.35) ALDH1A1LMNASMN1; SMN2HPGDNPSR1
SCHEMBL22549253 0.77 PDE9A (0.36) ALDH1A1LMNASMN1; SMN2HPGDNPSR1
SCHEMBL12775297 0.77 ALDH1A1 (0.50) ALDH1A1LMNAHPGDSQORKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9334274-B2 N-(hetero)aryl-pyrrolidine derivatives of pyrazol-4-yl-pyrrolo[2,3-d]pyrimidines and pyrrol-3-yl-pyrrolo[2,3-d]pyrimidines as janus kinase inhibitors INCYTE HOLDINGS CORPORATION (US) 2016-05-10 — — US disclosed
US-20140221379-A1 N-(HETERO)ARYL-PYRROLIDINE DERIVATIVES OF PYRAZOL-4-YL-PYRROLO[2,3-d]PYRIMIDINES AND PYRROL-3-YL-PYRROLO[2,3-d]PYRIMIDINES AS JANUS KINASE INHIBITORS INCYTE CORPORATION (US) 2014-08-07 — — US disclosed
US-8716303-B2 N-(hetero)aryl-pyrrolidine derivatives of pyrazol-4-yl-pyrrolo[2,3-d]pyrimidines and pyrrol-3-yl-pyrrolo[2,3-d]pyrimidines as janus kinase inhibitors INCYTE CORPORATION (US) 2014-05-06 — — US disclosed
US-20100298334-A1 N-(HETERO)ARYL-PYRROLIDINE DERIVATIVES OF PYRAZOL-4-YL-PYRROLO[2,3-d]PYRIMIDINES AND PYRROL-3-YL-PYRROLO[2,3-d]PYRIMIDINES AS JANUS KINASE INHIBITORS INCYTE CORPORATION 2010-11-25 — — US disclosed
US-20100298334-A1 N-(HETERO)ARYL-PYRROLIDINE DERIVATIVES OF PYRAZOL-4-YL-PYRROLO[2,3-d]PYRIMIDINES AND PYRROL-3-YL-PYRROLO[2,3-d]PYRIMIDINES AS JANUS KINASE INHIBITORS INCYTE CORPORATION 2010-11-25 — — 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-20100298334-A1 N-(HETERO)ARYL-PYRROLIDINE DERIVATIVES OF PYRAZOL-4-YL-PYRROLO[2,3-d]PYRIMIDINES AND PYRROL-3-YL-PYRROLO[2,3-d]PYRIMIDINES AS JANUS KINASE INHIBITORS JAK1, JAK3, JAK2 ALDH1A1 2342/4885LMNA 4849/4885SMN1; SMN2 4142/4885
US-20140221379-A1 N-(HETERO)ARYL-PYRROLIDINE DERIVATIVES OF PYRAZOL-4-YL-PYRROLO[2,3-d]PYRIMIDINES AND PYRROL-3-YL-PYRROLO[2,3-d]PYRIMIDINES AS JANUS KINASE INHIBITORS JAK1, JAK3, JAK2 ALDH1A1 2342/4885LMNA 4849/4885SMN1; SMN2 4142/4885

“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.