SCHEMBL14670591

SCHEMBL14670591

Cc1cnc(Cl)nc1N[C@H](CO)c1cc(F)ccc1F

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ USP1 O94782 1/20 0.39
▸ WDR48 Q8TAF3 1/20 0.39
▸ MAP4K1 Q92918 1/20 0.39
▸ PSEN1 P49768 3/20 0.37
▸ PSEN2 P49810 3/20 0.37
▸ APH1B Q8WW43 3/20 0.37
▸ NCSTN Q92542 3/20 0.37
▸ APH1A Q96BI3 3/20 0.37
▸ PSENEN Q9NZ42 3/20 0.37
▸ ROCK1 Q13464 2/20 0.37
▸ ROCK2 O75116 1/20 0.37
▸ KCNQ3 O43525 1/20 0.36
▸ KCNQ2 O43526 1/20 0.36
▸ KCNE1 P15382 1/20 0.36
▸ KCNQ1 P51787 1/20 0.36
▸ KCNQ5 Q9NR82 1/20 0.36
▸ NTRK1 P04629 6/20 0.36
▸ AURKA O14965 1/20 0.34
▸ MAP3K7 O43318 1/20 0.34
▸ CDK2 P24941 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
SCHEMBL14670674 0.89 ALDH1A1 (0.40) MAP4K1PSEN1PSEN2APH1BNCSTN
SCHEMBL15836879 0.88 NTRK1 (0.42) MAP4K1PSEN1PSEN2APH1BNCSTN
SCHEMBL14670669 0.88 NTRK1 (0.42) MAP4K1PSEN1PSEN2APH1BNCSTN
SCHEMBL27717397 0.83 NTRK1 (0.48) USP1WDR48MAP4K1NTRK1CDK2
SCHEMBL14670594 0.81 USP1 (0.42) USP1WDR48MAP4K1ROCK2NTRK1
SCHEMBL15836880 0.80 USP1 (0.41) USP1WDR48ROCK1ROCK2NTRK1
SCHEMBL14663737 0.78 JAK1 (0.46) MAP4K1
SCHEMBL14663739 0.78 JAK1 (0.46) MAP4K1
SCHEMBL14670663 0.75 USP1 (0.51) USP1WDR48AURKACDK2CCNT1
SCHEMBL30930030 0.75 USP1 (0.51) USP1WDR48AURKACDK2CCNT1

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-20140179664-A1 Heterocyclyl Pyrimidine Analogues As JAK Inhibitors CELLZOME LIMITED (GB) 2014-06-26 — — US disclosed
US-20140179664-A1 Heterocyclyl Pyrimidine Analogues As JAK Inhibitors CELLZOME LIMITED (GB) 2014-06-26 — — US disclosed
WO-2013014162-A1 HETEROCYCLYL PYRIMIDINE ANALOGUES AS JAK INHIBITORS CELLZOME LIMITED (GB) 2013-01-31 — — 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 (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-20140179664-A1 Heterocyclyl Pyrimidine Analogues As JAK Inhibitors JAK1, JAK3, JAK2 USP1 2368/4885WDR48 2995/4885MAP4K1 529/4885

“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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