SCHEMBL29540736

SCHEMBL29540736

COc1cccc(-c2cn(-c3ccnc4[nH]ccc34)cn2)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP2D6 P10635 1/20 0.44
▸ CYP2C9 P11712 1/20 0.44
▸ BRAF P15056 1/20 0.44
▸ ROCK2 O75116 3/20 0.42
▸ ROCK1 Q13464 2/20 0.42
▸ PSEN1 P49768 1/20 0.42
▸ PSEN2 P49810 1/20 0.42
▸ APH1B Q8WW43 1/20 0.42
▸ NCSTN Q92542 1/20 0.42
▸ APH1A Q96BI3 1/20 0.42
▸ PSENEN Q9NZ42 1/20 0.42
▸ CCNB2 O95067 1/20 0.42
▸ CDK1 P06493 1/20 0.42
▸ CCNB1 P14635 1/20 0.42
▸ GSK3A P49840 1/20 0.42
▸ GSK3B P49841 1/20 0.42
▸ CDK5 Q00535 1/20 0.42
▸ CDK5R1 Q15078 1/20 0.42
▸ CCNB3 Q8WWL7 1/20 0.42
▸ CCNK O75909 2/20 0.42

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
SCHEMBL101287 1.00 CYP2D6 (0.44) CYP2D6CYP2C9BRAFROCK2ROCK1
Trifluoroacetic Acid SCHEMBL4082706 0.90 CYP2D6 (0.44) CYP2D6CYP2C9BRAFROCK2ROCK1
SCHEMBL100468 0.84 JAK2 (0.52) ROCK1CDK5CCNKCDK12LRRK2
SCHEMBL30663353 0.84 JAK2 (0.52) ROCK1CDK5CCNKCDK12LRRK2
SCHEMBL100082 0.81 ROCK2 (0.44) CYP2D6CYP2C9BRAFROCK2ROCK1
SCHEMBL29541714 0.81 ROCK2 (0.44) CYP2D6CYP2C9BRAFROCK2ROCK1
SCHEMBL27762540 0.80 BRD4 (0.46) CYP2D6ROCK1CCNB2CDK1CCNB1
SCHEMBL29540698 0.80 GRM5 (0.43) CYP2D6ROCK1CDK5BRD4LRRK2
SCHEMBL100846 0.80 GRM5 (0.43) CYP2D6ROCK1CDK5BRD4LRRK2
SCHEMBL857153 0.78 NUDT1 (0.64) CYP2D6CYP2C9BRAFROCK2ROCK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11744832-B2 Heteroaryl substituted pyrrolo[2,3-b]pyridines and pyrrolo[2,3-b]pyrimidines as Janus kinase inhibitors INCYTE CORPORATION (US) 2023-09-05 — — US disclosed
US-20220395506-A1 HETEROARYL SUBSTITUTED PYRROLO[2,3-b]PYRIDINES AND PYRROLO[2,3-b]PYRIMIDINES AS JANUS KINASE INHIBITORS INCYTE CORPORATION 2022-12-15 — — US disclosed
US-11331320-B2 Heteroaryl substituted pyrrolo[2,3-b]pyridines and pyrrolo[2,3-b]pyrimidines as Janus kinase inhibitors INCYTE HOLDINGS CORPORATION (US) 2022-05-17 — — 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-20220395506-A1 HETEROARYL SUBSTITUTED PYRROLO[2,3-b]PYRIDINES AND PYRROLO[2,3-b]PYRIMIDINES AS JANUS KINASE INHIBITORS JAK3, JAK1, JAK2 CYP2D6 1930/4885CYP2C9 2421/4885BRAF 51/4885
US-11744832-B2 Heteroaryl substituted pyrrolo[2,3-b]pyridines and pyrrolo[2,3-b]pyrimidines as Janus kinase inhibitors JAK3, JAK1, JAK2 CYP2D6 1930/4885CYP2C9 2421/4885BRAF 51/4885
US-11331320-B2 Heteroaryl substituted pyrrolo[2,3-b]pyridines and pyrrolo[2,3-b]pyrimidines as Janus kinase inhibitors JAK3, JAK1, JAK2 CYP2D6 1930/4885CYP2C9 2421/4885BRAF 51/4885

“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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