SCHEMBL24427502

SCHEMBL24427502

Cc1nc(Cl)c(-c2ccc3[nH]ncc3c2)[nH]1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TGFBR1 P36897 2/20 0.52
▸ TGFBR2 P37173 1/20 0.52
▸ TRPA1 O75762 10/20 0.51
▸ GSK3B P49841 4/20 0.50
▸ CLK1 P49759 2/20 0.50
▸ NOS1 P29475 1/20 0.50
▸ DYRK3 O43781 1/20 0.50
▸ CLK2 P49760 1/20 0.50
▸ CLK3 P49761 1/20 0.50
▸ CDK5 Q00535 1/20 0.50
▸ DYRK1A Q13627 1/20 0.50
▸ CDK5R1 Q15078 1/20 0.50
▸ DYRK2 Q92630 1/20 0.50
▸ CLK4 Q9HAZ1 1/20 0.50
▸ DYRK1B Q9Y463 1/20 0.50
▸ ROCK2 O75116 3/20 0.49
▸ PIM1 P11309 3/20 0.49
▸ AURKB Q96GD4 3/20 0.49
▸ JAK2 O60674 1/20 0.47
▸ PAK4 O96013 1/20 0.47

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
SCHEMBL24427504 0.82 TRPA1 (0.51) TGFBR1TGFBR2TRPA1GSK3BCLK1
SCHEMBL18041627 0.79 TGFBR1 (0.83) TGFBR1TGFBR2TRPA1GSK3BCLK1
SCHEMBL18041496 0.78 TGFBR1 (0.54) TGFBR1TGFBR2TRPA1GSK3BCLK1
SCHEMBL18041464 0.77 TGFBR1 (0.53) TGFBR1TGFBR2TRPA1GSK3BCLK1
SCHEMBL18041734 0.76 TGFBR1 (0.58) TGFBR1TGFBR2TRPA1GSK3BCLK1
SCHEMBL18041489 0.76 TGFBR1 (0.55) TGFBR1TGFBR2TRPA1GSK3BCLK1
SCHEMBL18041614 0.75 TRPA1 (0.50) TGFBR1TGFBR2TRPA1GSK3BCLK1
SCHEMBL29676970 0.75 TGFBR1 (0.62) TGFBR1TGFBR2TRPA1GSK3BCLK1
SCHEMBL29677021 0.75 TRPA1 (0.50) TGFBR1TGFBR2TRPA1GSK3BCLK1
SCHEMBL18041637 0.75 TGFBR1 (0.62) TGFBR1TGFBR2TRPA1GSK3BCLK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11518766-B2 Tricyclic compound, preparation method therefor and use thereof SHANGHAI JEMINCARE PHARMACEUTICALS CO., LTD. (CN) 2022-12-06 — — US disclosed
EP-3998263-A1 TRICYCLIC COMPOUND, PREPARATION METHOD THEREFOR AND USE THEREOF Shanghai Jemincare Pharmaceuticals Co., Ltd. (CN) 2022-05-18 — — EP 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 (1 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-11518766-B2 Tricyclic compound, preparation method therefor and use thereof TFPI, TFPI2, F11 TGFBR1 2534/4885TGFBR2 2766/4885TRPA1 1687/4885

“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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