SCHEMBL29645155

SCHEMBL29645155

Cc1cccc(Nc2ccnc(N)n2)c1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK1 Q13464 12/20 0.68
HTR3E A5X5Y0 1/20 0.68
HTR3B O95264 1/20 0.68
HTR3A P46098 1/20 0.68
HTR3D Q70Z44 1/20 0.68
HTR3C Q8WXA8 1/20 0.68
BCL6 P41182 1/20 0.66
ROCK2 O75116 1/20 0.59
PRKACA P17612 1/20 0.59
PRKCD Q05655 1/20 0.59
DYRK1A Q13627 1/20 0.59
CDC42BPA Q5VT25 1/20 0.59
TNNI3K Q59H18 1/20 0.53
CDC7 O00311 1/20 0.52
MAPKAPK2 P49137 2/20 0.51
EGFR P00533 2/20 0.51
ITK Q08881 1/20 0.51
JAK2 O60674 1/20 0.50
JAK3 P52333 1/20 0.50
AURKA O14965 1/20 0.49

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
SCHEMBL13166084 0.81 TNNI3K (0.63) ROCK1ROCK2PRKACAPRKCDDYRK1A
SCHEMBL27612768 0.81 SYK (0.70) ROCK1HTR3EHTR3BHTR3AHTR3D
SCHEMBL13166085 0.81 NFKB1 (0.58) ROCK1HTR3EHTR3BHTR3AHTR3D
SCHEMBL12813346 0.81 ROCK1 (1.00) ROCK1HTR3EHTR3BHTR3AHTR3D
SCHEMBL12968972 0.81 ROCK1 (1.00) ROCK1HTR3EHTR3BHTR3AHTR3D
SCHEMBL29645150 0.80 ROCK1 (0.69) ROCK1HTR3EHTR3BHTR3AHTR3D
SCHEMBL1193264 0.80 ROCK1 (1.00) ROCK1HTR3EHTR3BHTR3AHTR3D
SCHEMBL15305716 0.79 RAB9A (0.55) ROCK1EGFR
SCHEMBL28212946 0.79 TNNI3K (0.54) TNNI3KEGFR
SCHEMBL20355745 0.79 CYP1A2 (0.73) ROCK2EGFR

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 3651/4885HTR3E 2048/4885HTR3B 1236/4885
US-11739072-B2 Heteroaryl compounds and their use GBA1, GBA2, GAA ROCK1 3651/4885HTR3E 2048/4885HTR3B 1236/4885

“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.