SCHEMBL10044594

SCHEMBL10044594

C[C@@H](Nc1nc(-c2cccnc2F)ncc1F)C(=O)NCC(F)(F)F

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 5/20 0.44
JAK2 O60674 3/20 0.44
USP1 O94782 2/20 0.36
WDR48 Q8TAF3 2/20 0.36
FGFR3 P22607 4/20 0.36
KCNH2 Q12809 1/20 0.35
PLK4 O00444 1/20 0.35
ROCK2 O75116 1/20 0.35
STK10 O94804 1/20 0.35
ABL1 P00519 1/20 0.35
PRKCB P05771 1/20 0.35
MET P08581 1/20 0.35
TOP2A P11388 1/20 0.35
PRKCA P17252 1/20 0.35
CSNK2A2 P19784 1/20 0.35
JAK1 P23458 1/20 0.35
MARK3 P27448 1/20 0.35
TYK2 P29597 1/20 0.35
ABL2 P42684 1/20 0.35
CDK9 P50750 1/20 0.35

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
SCHEMBL10044587 0.91 JAK3 (0.43) JAK3JAK2USP1WDR48FGFR3
SCHEMBL10044609 0.90 JAK3 (0.42) JAK3JAK2USP1WDR48FGFR3
SCHEMBL10044584 0.84 USP1 (0.42) JAK3JAK2USP1WDR48FGFR3
SCHEMBL10044596 0.84 USP1 (0.42) JAK3JAK2USP1WDR48FGFR3
SCHEMBL10044582 0.82 FGFR3 (0.39) JAK3JAK2FGFR3KDR
SCHEMBL10044589 0.81 JAK3 (0.45) JAK3JAK2USP1WDR48FGFR3
SCHEMBL1724349 0.80 JAK3 (0.46) JAK3JAK2PLK4ROCK2STK10
SCHEMBL1724354 0.80 JAK3 (0.46) JAK3JAK2PLK4ROCK2STK10
SCHEMBL14494149 0.80 JAK3 (0.46) JAK3JAK2PLK4ROCK2STK10
SCHEMBL10044616 0.80 FGFR3 (0.39) USP1WDR48FGFR3KDR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140221336-A1 COMPOUNDS USEFUL AS INHIBITORS OF JANUS KINASES VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-08-07 US disclosed
US-20140221336-A1 COMPOUNDS USEFUL AS INHIBITORS OF JANUS KINASES VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-08-07 US disclosed
US-20120157429-A1 COMPOUNDS USEFUL AS INHIBITORS OF JANUS KINASES VERTEX PHARMACEUTICALS INCORPORATED 2012-06-21 US disclosed
US-20120157429-A1 COMPOUNDS USEFUL AS INHIBITORS OF JANUS KINASES VERTEX PHARMACEUTICALS INCORPORATED 2012-06-21 US disclosed
US-20100160287-A1 COMPOUNDS USEFUL AS INHIBITORS OF JANUS KINASES VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-06-24 US disclosed
US-20100160287-A1 COMPOUNDS USEFUL AS INHIBITORS OF JANUS KINASES VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-06-24 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 (3 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-20120157429-A1 COMPOUNDS USEFUL AS INHIBITORS OF JANUS KINASES JAK2, JAK1, JAK3 JAK3 3/4885JAK2 1/4885USP1 2284/4885
US-20100160287-A1 COMPOUNDS USEFUL AS INHIBITORS OF JANUS KINASES JAK2, JAK1, JAK3 JAK3 3/4885JAK2 1/4885USP1 2284/4885
US-20140221336-A1 COMPOUNDS USEFUL AS INHIBITORS OF JANUS KINASES JAK2, JAK1, JAK3 JAK3 3/4885JAK2 1/4885USP1 2284/4885

“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.