SCHEMBL25084657

SCHEMBL25084657

Cc1cccc(-c2[nH]cnc2-c2ccc3ncc(-c4cccc(NC5CNC5)n4)cc3c2)n1

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ FLT3 P36888 12/20 0.43
▸ NRAS P01111 4/20 0.42
▸ IRAK4 Q9NWZ3 3/20 0.39
▸ TGFBR1 P36897 6/20 0.37
▸ MTOR P42345 1/20 0.36
▸ CYP2D6 P10635 1/20 0.34
▸ TGFBR2 P37173 1/20 0.34
▸ MAP3K20 Q9NYL2 1/20 0.34
▸ PIM1 P11309 1/20 0.34
▸ PIM2 Q9P1W9 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
SCHEMBL30156407 1.00 FLT3 (0.43) FLT3NRASIRAK4TGFBR1MTOR
SCHEMBL23392192 0.91 IRAK4 (0.43) FLT3IRAK4PIM1PIM2
SCHEMBL30156322 0.91 IRAK4 (0.43) FLT3IRAK4PIM1PIM2
SCHEMBL23391953 0.88 TGFBR1 (0.38) FLT3NRASTGFBR1MTORCYP2D6
SCHEMBL23392167 0.81 MET (0.46) FLT3NRASIRAK4TGFBR1MTOR
SCHEMBL30156389 0.80 TGFBR1 (0.40) TGFBR1CYP2D6
SCHEMBL25084803 0.80 TGFBR1 (0.40) TGFBR1CYP2D6
SCHEMBL30156350 0.79 TGFBR1 (0.36) IRAK4TGFBR1MTORCYP2D6TGFBR2
SCHEMBL25084503 0.79 MET (0.44) IRAK4TGFBR1MTORCYP2D6PIM1
SCHEMBL30156413 0.79 MET (0.44) IRAK4TGFBR1MTORCYP2D6PIM1

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 FLT3 143/4885NRAS 1201/4885IRAK4 330/4885

“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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