SCHEMBL16069850

SCHEMBL16069850

CNC(=O)c1cc(CCc2cnc(Nc3cnn(C4CCCNC4)c3)nc2)c(F)c(OC)c1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ KDR P35968 4/20 0.40
▸ AURKB Q96GD4 1/20 0.40
▸ JAK3 P52333 6/20 0.40
▸ FLT4 P35916 5/20 0.40
▸ JAK2 O60674 3/20 0.40
▸ FGFR3 P22607 7/20 0.39
▸ KCNH2 Q12809 4/20 0.38
▸ FGFR1 P11362 1/20 0.38
▸ FGFR2 P21802 1/20 0.38
▸ FGFR4 P22455 1/20 0.38
▸ JAK1 P23458 2/20 0.38
▸ TYK2 P29597 1/20 0.38
▸ MAPK1 P28482 1/20 0.36
▸ OPRK1 P41145 1/20 0.36

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
SCHEMBL16070246 1.00 KDR (0.40) KDRAURKBJAK3FLT4JAK2
SCHEMBL16049906 1.00 KDR (0.40) KDRAURKBJAK3FLT4JAK2
SCHEMBL17469961 0.95 FLT4 (0.43) KDRJAK3FLT4JAK2FGFR3
SCHEMBL17537605 0.95 FLT4 (0.43) KDRJAK3FLT4JAK2FGFR3
SCHEMBL17470115 0.92 KDR (0.41) KDRJAK3FLT4JAK2FGFR3
SCHEMBL16069698 0.92 JAK3 (0.46) KDRJAK3JAK2FGFR3KCNH2
SCHEMBL17470080 0.92 JAK3 (0.46) KDRJAK3JAK2FGFR3KCNH2
SCHEMBL17469962 0.91 FLT4 (0.44) KDRJAK3FLT4JAK2FGFR3
SCHEMBL17470190 0.90 JAK3 (0.45) KDRJAK3JAK2FGFR3KCNH2
SCHEMBL17470055 0.87 JAK3 (0.48) JAK3JAK2FGFR3FGFR2JAK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2970120-B1 NOVEL PYRIMIDINE AND PYRIDINE COMPOUNDS AND THEIR USAGE HUTCHISON MEDIPHARMA LTD (CN) 2018-09-12 — — EP disclosed
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
WO-2014139145-A1 NOVEL PYRIMIDINE AND PYRIDINE COMPOUNDS AND USAGE THEREOF HUTCHISON MEDIPHARMA LIMITED (CN) 2014-09-18 — — WO 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 KDR 66/4885AURKB 133/4885JAK3 35/4885
US-20160024021-A1 NOVEL PYRIMIDINE AND PYRIDINE COMPOUNDS AND THEIR USAGE FGFR3, FGFR1, FGFR4 KDR 64/4885AURKB 118/4885JAK3 39/4885

“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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