SCHEMBL25822606

SCHEMBL25822606

Cc1cnc2ccc(-c3nc[nH]c3-c3ccccn3)cc2c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 5/20 0.44
CYP1A2 P05177 1/20 0.43
MAPK14 Q16539 3/20 0.42
TNIK Q9UKE5 1/20 0.41
NPC1 O15118 3/20 0.40
KDM4E B2RXH2 3/20 0.40
METAP2 P50579 1/20 0.40
METAP1 P53582 1/20 0.40
CBFB Q13951 1/20 0.40
PKM P14618 2/20 0.39
RAB9A P51151 2/20 0.39
IDO1 P14902 4/20 0.39
BMPR1A P36894 1/20 0.38
SMAD2 Q15796 1/20 0.38
ALDH1A1 P00352 1/20 0.38
TP53 P04637 1/20 0.38
HPGD P15428 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HSD17B10 Q99714 1/20 0.38
PIK3CD O00329 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
SCHEMBL23418795 0.85 TNIK (0.41) TGFBR1MAPK14TNIKNPC1KDM4E
SCHEMBL25822608 0.85 IDO1 (0.45) TGFBR1MAPK14TNIKNPC1KDM4E
SCHEMBL23408398 0.85 TGFBR1 (0.45) TGFBR1CYP1A2MAPK14TNIKIDO1
SCHEMBL23392259 0.84 TGFBR1 (0.44) TGFBR1MAPK14TNIKNPC1KDM4E
SCHEMBL25822607 0.76 NPC1 (0.42) TGFBR1CYP1A2NPC1KDM4EMETAP2
SCHEMBL23392011 0.74 TGFBR1 (0.43) TGFBR1MAPK14TNIKBMPR1ASMAD2
SCHEMBL25085300 0.74 TGFBR1 (0.44) TGFBR1MAPK14TNIKIDO1BMPR1A
SCHEMBL29796536 0.74 TGFBR1 (0.43) TGFBR1MAPK14TNIKIDO1BMPR1A
SCHEMBL23389618 0.74 TGFBR1 (0.43) TGFBR1MAPK14TNIKIDO1BMPR1A
SCHEMBL23408112 0.74 TGFBR1 (0.43) TGFBR1MAPK14TNIKIDO1BMPR1A

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 TGFBR1 211/4885CYP1A2 3997/4885MAPK14 1504/4885

“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.