SCHEMBL13058604

SCHEMBL13058604

CC(C)c1ccnnc1C#N

nearest known ligand 0.34

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ ERBB2 P04626 1/20 0.34
▸ KDM5A P29375 1/20 0.31
▸ MAPT P10636 1/20 0.30
▸ AGTR1 P30556 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
SCHEMBL22978574 0.85 — —
SCHEMBL13082294 0.72 — —
SCHEMBL10094206 0.72 HPGD (0.41) ERBB2KDM5A
Hydrochloric Acid SCHEMBL1114133 0.71 HPGD (0.40) ERBB2KDM5A
SCHEMBL786301 0.70 HTT (0.31) —
SCHEMBL4546364 0.70 GABRA1 (0.31) —
SCHEMBL14943106 0.70 RPS6KA3 (0.36) —
SCHEMBL10297516 0.70 LMNA (0.31) —
SCHEMBL31032198 0.69 ERBB2 (0.36) ERBB2KDM5A
SCHEMBL24869040 0.68 GABRA1 (0.32) —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9505765-B2 4-alkoxy/aralkoxy-5-substituted-pyrrolopyrimidine compounds as TAK1 inhibitors in disease treatment CONFLUENCE LIFE SCIENCES INC. (US) 2016-11-29 — — US disclosed
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-20150203499-A1 4-ALKOXY/ARALKOXY-5-SUBSTITUTED-PYRROLOPYRIMIDINE COMPOUNDS AS TAK1 INHIBITORS IN DISEASE TREATMENT ACLARIS THERAPEUTICS, INC. 2015-07-23 — — 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 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-20150203499-A1 4-ALKOXY/ARALKOXY-5-SUBSTITUTED-PYRROLOPYRIMIDINE COMPOUNDS AS TAK1 INHIBITORS IN DISEASE TREATMENT MAP3K6, MAP3K20, MAP3K4 ERBB2 64/4885KDM5A 521/4885MAPT 225/4885
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 ERBB2 241/4885KDM5A 899/4885MAPT 3914/4885
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 ERBB2 241/4885KDM5A 899/4885MAPT 3914/4885

“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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