SCHEMBL10044590

SCHEMBL10044590

O=C(CCNc1nc(-c2cccnc2F)ncc1F)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
FGFR3 P22607 5/20 0.40
KDR P35968 3/20 0.40
KCNH2 Q12809 1/20 0.36
USP1 O94782 2/20 0.35
WDR48 Q8TAF3 2/20 0.35
L3MBTL1 Q9Y468 1/20 0.34
SIRT5 Q9NXA8 1/20 0.34
PLK4 O00444 1/20 0.34
ROCK2 O75116 1/20 0.34
STK10 O94804 1/20 0.34
ABL1 P00519 1/20 0.34
PRKCB P05771 1/20 0.34
MET P08581 1/20 0.34
TOP2A P11388 1/20 0.34
PRKCA P17252 1/20 0.34
CSNK2A2 P19784 1/20 0.34
JAK1 P23458 1/20 0.34
MARK3 P27448 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
SCHEMBL10044612 0.90 JAK3 (0.43) JAK3JAK2FGFR3KDRKCNH2
SCHEMBL10044589 0.90 JAK3 (0.45) JAK3JAK2FGFR3KDRKCNH2
SCHEMBL10044593 0.84 FGFR3 (0.46) JAK3JAK2FGFR3KDRUSP1
SCHEMBL10125421 0.80 JAK2 (0.47) JAK3JAK2KDRPLK4ROCK2
SCHEMBL10044603 0.80 JAK3 (0.44) JAK3JAK2FGFR3KDRKCNH2
SCHEMBL10044591 0.79 FGFR3 (0.43) JAK3JAK2FGFR3KDRSIRT5
SCHEMBL10044594 0.79 JAK3 (0.44) JAK3JAK2FGFR3KDRKCNH2
SCHEMBL10044610 0.76 ROCK2 (0.41) JAK3JAK2FGFR3KDRROCK2
SCHEMBL10044592 0.76 FGFR3 (0.41) FGFR3KDRKCNH2ABL1
SCHEMBL14236350 0.76 JAK3 (0.47) JAK3JAK2

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 1/4885FGFR3 574/4885
US-20100160287-A1 COMPOUNDS USEFUL AS INHIBITORS OF JANUS KINASES JAK2, JAK1, JAK3 JAK3 3/4885JAK2 1/4885FGFR3 574/4885
US-20140221336-A1 COMPOUNDS USEFUL AS INHIBITORS OF JANUS KINASES JAK2, JAK1, JAK3 JAK3 3/4885JAK2 1/4885FGFR3 574/4885

“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.