SCHEMBL25084909

SCHEMBL25084909

Cc1cccc(-c2n[nH]cc2-c2ccc3ncc(-c4cn[nH]c4)cc3n2)n1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ TGFBR1 P36897 13/20 0.43
▸ MAPK14 Q16539 1/20 0.38
▸ MTOR P42345 1/20 0.36
▸ PIM1 P11309 1/20 0.36
▸ PIM3 Q86V86 1/20 0.36
▸ PIM2 Q9P1W9 1/20 0.36
▸ FGFR1 P11362 3/20 0.35
▸ FGFR2 P21802 3/20 0.35
▸ FGFR3 P22607 3/20 0.35
▸ KDR P35968 3/20 0.35
▸ METAP2 P50579 1/20 0.35
▸ LRRK2 Q5S007 1/20 0.35
▸ FGFR4 P22455 2/20 0.35
▸ MET P08581 1/20 0.34

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
SCHEMBL30156447 1.00 TGFBR1 (0.43) TGFBR1MAPK14MTORPIM1PIM3
SCHEMBL25084848 0.90 TGFBR1 (0.45) TGFBR1MAPK14MTORKDR
SCHEMBL30155996 0.90 TGFBR1 (0.45) TGFBR1MAPK14MTORKDR
SCHEMBL30156654 0.88 TGFBR1 (0.44) TGFBR1MAPK14MTORFGFR1FGFR2
SCHEMBL23418798 0.88 TGFBR1 (0.44) TGFBR1MAPK14MTORFGFR1FGFR2
SCHEMBL30156065 0.88 TGFBR1 (0.42) TGFBR1MAPK14MTOR
SCHEMBL25084658 0.88 TGFBR1 (0.44) TGFBR1MAPK14MTOR
SCHEMBL25085037 0.88 TGFBR1 (0.42) TGFBR1MAPK14MTOR
SCHEMBL30156368 0.88 TGFBR1 (0.44) TGFBR1MAPK14MTOR
SCHEMBL25084678 0.88 PDGFRB (0.43) TGFBR1MAPK14MTORPIM1

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-11590116-B2 Substituted pyridines and methods of use THERAVANCE BIOPHARMA R&D IP, LLC (US) 2023-02-28 — — 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-11590116-B2 Substituted pyridines and methods of use ALK, ACVR1, ACVR2A TGFBR1 211/4885MAPK14 1504/4885MTOR 2401/4885

“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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