SCHEMBL29645150

SCHEMBL29645150

Cc1ccc(Nc2ccnc(N)n2)cc1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK1 Q13464 12/20 0.69
BCL6 P41182 1/20 0.69
CA12 O43570 1/20 0.62
CA1 P00915 1/20 0.62
CA2 P00918 1/20 0.62
CA6 P23280 1/20 0.62
CA5A P35218 1/20 0.62
CA7 P43166 1/20 0.62
CA9 Q16790 1/20 0.62
CA14 Q9ULX7 1/20 0.62
CA5B Q9Y2D0 1/20 0.62
KCNH2 Q12809 1/20 0.59
SCN9A Q15858 1/20 0.59
RAB9A P51151 1/20 0.56
HTR3E A5X5Y0 1/20 0.54
HTR3B O95264 1/20 0.54
HTR3A P46098 1/20 0.54
HTR3D Q70Z44 1/20 0.54
HTR3C Q8WXA8 1/20 0.54
CDC7 O00311 1/20 0.54

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
SCHEMBL31337029 0.82 SCN9A (0.82) ROCK1BCL6CA12CA1CA2
SCHEMBL31336991 0.82 ROCK1 (0.69) ROCK1BCL6CA12CA1CA2
SCHEMBL13963140 0.82 ROCK1 (0.69) ROCK1BCL6CA12CA1CA2
SCHEMBL31337079 0.82 ROCK1 (0.69) ROCK1BCL6CA12CA1CA2
SCHEMBL1193264 0.81 ROCK1 (1.00) ROCK1BCL6CA12CA1CA2
SCHEMBL12968741 0.81 ROCK1 (1.00) ROCK1BCL6CA12CA1CA2
SCHEMBL270349 0.81 RAB9A (0.69) ROCK1BCL6CA12CA1CA2
SCHEMBL12968977 0.81 ROCK1 (0.63) ROCK1BCL6CA12CA1CA2
SCHEMBL29645155 0.80 ROCK1 (0.68) ROCK1BCL6HTR3EHTR3BHTR3A
SCHEMBL2410497 0.79 RAB9A (0.62) CA12CA1CA2CA9RAB9A

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
CN-119080704-A Rosin acid derivative and preparation method and application thereof 广东药科大学 2024-12-06 CN disclosed
US-11739072-B2 Heteroaryl compounds and their use MINORYX THERAPEUTICS S.L. (ES) 2023-08-29 US disclosed
US-20220135535-A1 HETEROARYL COMPOUNDS AND THEIR USE MINORYX THERAPEUTICS S.L. (ES) 2022-05-05 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-20220135535-A1 HETEROARYL COMPOUNDS AND THEIR USE GBA1, GBA2, GAA ROCK1 3651/4885BCL6 2335/4885CA12 4431/4885
US-11739072-B2 Heteroaryl compounds and their use GBA1, GBA2, GAA ROCK1 3651/4885BCL6 2335/4885CA12 4431/4885

“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.