SCHEMBL17470055

SCHEMBL17470055

CNC(=O)c1cc(CCc2cnc(Nc3cnn(C4CCOCC4)c3)nc2)c(F)c(OC)c1

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ JAK3 P52333 15/20 0.48
▸ JAK1 P23458 12/20 0.48
▸ JAK2 O60674 11/20 0.48
▸ LRRK2 Q5S007 1/20 0.44
▸ TYK2 P29597 5/20 0.43
▸ FGFR3 P22607 2/20 0.42
▸ FGFR2 P21802 1/20 0.42
▸ MAP3K7 O43318 1/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ MAP2K1 Q02750 1/20 0.41
▸ BTK Q06187 1/20 0.41
▸ EIF2AK4 Q9P2K8 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
SCHEMBL17537561 0.95 JAK3 (0.44) JAK3JAK1JAK2LRRK2TYK2
SCHEMBL17469972 0.95 JAK3 (0.44) JAK3JAK1JAK2LRRK2TYK2
SCHEMBL19101471 0.95 JAK3 (0.44) JAK3JAK1JAK2LRRK2TYK2
SCHEMBL17470190 0.95 JAK3 (0.45) JAK3JAK1JAK2LRRK2TYK2
SCHEMBL16069698 0.94 JAK3 (0.46) JAK3JAK1JAK2LRRK2TYK2
SCHEMBL17470080 0.94 JAK3 (0.46) JAK3JAK1JAK2LRRK2TYK2
SCHEMBL17470078 0.93 LRRK2 (0.44) JAK3JAK1JAK2LRRK2TYK2
SCHEMBL17469982 0.91 FGFR3 (0.49) JAK3JAK1JAK2TYK2FGFR3
SCHEMBL17469962 0.91 FLT4 (0.44) JAK3JAK1JAK2TYK2FGFR3
SCHEMBL16069923 0.91 FGFR3 (0.44) JAK3JAK1JAK2TYK2FGFR3

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 JAK3 35/4885JAK1 10/4885JAK2 11/4885
US-20160024021-A1 NOVEL PYRIMIDINE AND PYRIDINE COMPOUNDS AND THEIR USAGE FGFR3, FGFR1, FGFR4 JAK3 39/4885JAK1 10/4885JAK2 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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