SCHEMBL17469982

SCHEMBL17469982

CNC(=O)c1cc(CCc2cnc(Nc3cnn(C4CCN(C)CC4)c3)nc2)c(F)c(OC)c1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ FGFR3 P22607 9/20 0.49
▸ KCNH2 Q12809 3/20 0.49
▸ JAK2 O60674 2/20 0.48
▸ JAK1 P23458 2/20 0.48
▸ JAK3 P52333 2/20 0.48
▸ KDR P35968 6/20 0.48
▸ FGFR1 P11362 1/20 0.48
▸ FGFR2 P21802 1/20 0.48
▸ FGFR4 P22455 1/20 0.48
▸ FLT4 P35916 7/20 0.44
▸ ROS1 P08922 1/20 0.43
▸ ALK Q9UM73 1/20 0.43
▸ IGF1R P08069 1/20 0.43
▸ TYK2 P29597 1/20 0.41

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
SCHEMBL17470117 0.95 FGFR3 (0.47) FGFR3KCNH2JAK2JAK1JAK3
SCHEMBL17537596 0.95 FGFR3 (0.47) FGFR3KCNH2JAK2JAK1JAK3
SCHEMBL17470190 0.94 JAK3 (0.45) FGFR3KCNH2JAK2JAK1JAK3
SCHEMBL17470080 0.93 JAK3 (0.46) FGFR3KCNH2JAK2JAK1JAK3
SCHEMBL16069698 0.93 JAK3 (0.46) FGFR3KCNH2JAK2JAK1JAK3
SCHEMBL17470118 0.92 FLT4 (0.45) FGFR3KCNH2JAK2JAK1JAK3
SCHEMBL16069923 0.92 FGFR3 (0.44) FGFR3KCNH2JAK2JAK1JAK3
SCHEMBL17470198 0.92 FLT4 (0.47) FGFR3KCNH2JAK2JAK1JAK3
SCHEMBL17470055 0.91 JAK3 (0.48) FGFR3JAK2JAK1JAK3FGFR2
SCHEMBL16049911 0.91 FGFR3 (0.44) FGFR3KCNH2JAK2JAK1JAK3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9701680-B2 Pyrimidine and pyridine compounds and their usage HUTCHISON MEDIPHARMA LIMITED (CN) 2017-07-11 — — US disclosed
US-20160052926-A1 NOVEL PYRIMIDINE AND PYRIDINE COMPOUNDS AND USAGE THEREOF HUTCHISON MEDIPHARMA LIMITED (CN) 2016-02-25 — — US disclosed
US-20160024021-A1 NOVEL PYRIMIDINE AND PYRIDINE COMPOUNDS AND THEIR USAGE HUTCHISON MEDIPHARMA LIMITED (CN) 2016-01-28 — — 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 (2 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-20160052926-A1 NOVEL PYRIMIDINE AND PYRIDINE COMPOUNDS AND USAGE THEREOF FGFR3, FGFR1, FGFR4 FGFR3 1/4885KCNH2 2589/4885JAK2 11/4885
US-20160024021-A1 NOVEL PYRIMIDINE AND PYRIDINE COMPOUNDS AND THEIR USAGE FGFR3, FGFR1, FGFR4 FGFR3 1/4885KCNH2 2621/4885JAK2 12/4885

“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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