SCHEMBL22075330

SCHEMBL22075330

NCCn1cc(-c2cnc3ccc(-c4nc[nH]c4-c4cc(Cl)c(F)cc4F)cc3c2)cn1

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ FEN1 P39748 2/20 0.39
▸ TNIK Q9UKE5 1/20 0.36
▸ MET P08581 6/20 0.36
▸ PDE3B Q13370 1/20 0.36
▸ PDE3A Q14432 1/20 0.36
▸ KCNH2 Q12809 5/20 0.35
▸ MAPK14 Q16539 4/20 0.35
▸ KDR P35968 1/20 0.34
▸ PDK2 Q15119 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
SCHEMBL22075047 0.90 PAICS (0.37) TNIKMETPDE3BPDE3AKCNH2
SCHEMBL22074968 0.89 FGFR3 (0.38) FEN1METKDRPDK2
SCHEMBL30579166 0.89 FGFR3 (0.38) FEN1METKDRPDK2
SCHEMBL22074849 0.84 MET (0.47) FEN1TNIKMETPDE3BPDE3A
SCHEMBL30579112 0.81 FGFR3 (0.39) METKDR
SCHEMBL22075194 0.81 FGFR3 (0.39) METKDR
SCHEMBL22074906 0.80 MAPK14 (0.39) TNIKMETPDE3BPDE3AMAPK14
SCHEMBL22074976 0.80 MET (0.34) TNIKMETKCNH2MAPK14KDR
SCHEMBL22075038 0.79 FGFR3 (0.39) FEN1METMAPK14KDRPDK2
SCHEMBL30579208 0.79 FGFR3 (0.39) FEN1METMAPK14KDRPDK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11730720-B2 ALK5 inhibitors THERAVANCE BIOPHARMA R&D IP, LLC (US) 2023-08-22 — — US disclosed
US-11730720-B2 ALK5 inhibitors THERAVANCE BIOPHARMA R&D IP, LLC (US) 2023-08-22 — — US disclosed
US-11730720-B2 ALK5 inhibitors THERAVANCE BIOPHARMA R&D IP, LLC (US) 2023-08-22 — — US disclosed
US-20210154178-A1 ALK5 INHIBITORS THERAVANCE BIOPHARMA R&D IP, LLC (US) 2021-05-27 — — US disclosed
US-20210154178-A1 ALK5 INHIBITORS THERAVANCE BIOPHARMA R&D IP, LLC (US) 2021-05-27 — — US disclosed
US-10952996-B2 ALK5 inhibitors THERAVANCE BIOPHARMA R&D IP, LLC (US) 2021-03-23 — — US disclosed
US-10952996-B2 ALK5 inhibitors THERAVANCE BIOPHARMA R&D IP, LLC (US) 2021-03-23 — — US disclosed
US-20200188370-A1 ALK5 INHIBITORS THERAVANCE BIOPHARMA R&D IP, LLC (US) 2020-06-18 — — US disclosed
US-20200188370-A1 ALK5 INHIBITORS THERAVANCE BIOPHARMA R&D IP, LLC (US) 2020-06-18 — — 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 (4 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-10952996-B2 ALK5 inhibitors ALK, ACVR1, ACVRL1 FEN1 1230/4885TNIK 176/4885MET 105/4885
US-20210154178-A1 ALK5 INHIBITORS ALK, ACVR1, ACVRL1 FEN1 1230/4885TNIK 176/4885MET 105/4885
US-11730720-B2 ALK5 inhibitors ALK, ACVR1, ACVRL1 FEN1 1230/4885TNIK 176/4885MET 105/4885
US-20200188370-A1 ALK5 INHIBITORS ALK, ACVR1, ACVRL1 FEN1 1230/4885TNIK 176/4885MET 105/4885

“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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