SCHEMBL14670671

SCHEMBL14670671

Cc1cnc(Cl)nc1N[C@H](CO)c1cccc(Br)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ USP1 O94782 1/20 0.51
▸ WDR48 Q8TAF3 1/20 0.51
▸ IDO1 P14902 2/20 0.42
▸ TDO2 P48775 2/20 0.42
▸ LMNA P02545 1/20 0.39
▸ HPGD P15428 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ AURKA O14965 5/20 0.38
▸ EGFR P00533 4/20 0.38
▸ RPS6KB1 P23443 2/20 0.38
▸ CYP26A1 O43174 1/20 0.36
▸ CDK2 P24941 2/20 0.35
▸ CRHR1 P34998 1/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ CYP3A4 P08684 3/20 0.34
▸ CYP2D6 P10635 3/20 0.34
▸ SLC6A2 P23975 3/20 0.34
▸ SLC6A4 P31645 3/20 0.34
▸ SLC6A3 Q01959 3/20 0.34
▸ KCNH2 Q12809 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
SCHEMBL14670664 0.88 IDO1 (0.43) USP1WDR48IDO1TDO2AURKA
SCHEMBL14670393 0.88 IDO1 (0.43) USP1WDR48IDO1TDO2AURKA
SCHEMBL14670579 0.86 IDO1 (0.42) USP1WDR48IDO1TDO2AURKA
SCHEMBL14670585 0.85 USP1 (0.51) USP1WDR48LMNAHPGDSMN1; SMN2
SCHEMBL14670663 0.85 USP1 (0.51) USP1WDR48LMNAHPGDSMN1; SMN2
SCHEMBL30930030 0.85 USP1 (0.51) USP1WDR48LMNAHPGDSMN1; SMN2
SCHEMBL14670594 0.78 USP1 (0.42) USP1WDR48LMNAHPGDSMN1; SMN2
SCHEMBL27717397 0.78 NTRK1 (0.48) USP1WDR48LMNAHPGDSMN1; SMN2
SCHEMBL14670616 0.78 ALK (0.48) USP1WDR48EGFRCDK2MAPK1
SCHEMBL15816287 0.78 ALK (0.48) USP1WDR48EGFRCDK2MAPK1

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 2995/4885IDO1 37/4885

“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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