SCHEMBL25822668

SCHEMBL25822668

Cc1cccc(-c2n[nH]c(I)c2-c2ccc3ncc(NC(=O)OCc4ccccc4)cc3n2)n1

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 10/20 0.40
▸ ROCK2 O75116 1/20 0.39
▸ MGLL Q99685 1/20 0.38
▸ TGFBR1 P36897 1/20 0.38
▸ MAP3K5 Q99683 1/20 0.38
▸ POLB P06746 1/20 0.37
▸ BLK P51451 1/20 0.37

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
SCHEMBL29967458 1.00 BTK (0.40) BTKROCK2MGLLTGFBR1MAP3K5
SCHEMBL23389852 0.87 LRRK2 (0.39) TGFBR1
SCHEMBL25822669 0.86 BTK (0.42) BTKROCK2MGLLTGFBR1MAP3K5
SCHEMBL29967907 0.78 LRRK2 (0.37) TGFBR1
SCHEMBL23418646 0.78 LRRK2 (0.37) TGFBR1
SCHEMBL23389863 0.77 LRRK2 (0.38) TGFBR1
SCHEMBL28785430 0.75 TGFBR1 (0.41) TGFBR1
SCHEMBL29967757 0.74 TGFBR1 (0.39) BTKTGFBR1MAP3K5BLK
SCHEMBL25822670 0.74 TGFBR1 (0.39) BTKTGFBR1MAP3K5BLK
SCHEMBL23392193 0.73 TGFBR1 (0.40) TGFBR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230218597-A1 SUBSTITUTED PYRIDINES AND METHODS OF USE THERAVANCE BIOPHARMA R&D IP LLC (US) 2023-07-13 — — 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 (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-20230218597-A1 SUBSTITUTED PYRIDINES AND METHODS OF USE ALK, ACVR1, ACVR2A BTK 1305/4885ROCK2 631/4885MGLL 3859/4885

“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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