SCHEMBL10044593

SCHEMBL10044593

O=C(CCNc1nc(-c2cccnc2)ncc1F)NCC(F)(F)F

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FGFR3 P22607 6/20 0.46
KDR P35968 4/20 0.46
PDE4B Q07343 1/20 0.44
CYP1A2 P05177 2/20 0.42
CYP3A4 P08684 2/20 0.42
TSHR P16473 1/20 0.42
CLK4 Q9HAZ1 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.41
LMNA P02545 2/20 0.41
USP1 O94782 1/20 0.41
WDR48 Q8TAF3 1/20 0.41
JAK3 P52333 2/20 0.41
JAK2 O60674 1/20 0.41
ALDH1A1 P00352 1/20 0.40
HPGD P15428 1/20 0.40
HDAC6 Q9UBN7 2/20 0.39
HDAC1 Q13547 1/20 0.39
KLKB1 P03952 1/20 0.39
GABRA5 P31644 1/20 0.38
GBA1 P04062 1/20 0.38

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
SCHEMBL10044599 0.90 PDE4B (0.45) FGFR3KDRPDE4BCYP1A2CYP3A4
SCHEMBL10044591 0.85 FGFR3 (0.43) FGFR3KDRJAK3JAK2
SCHEMBL10044590 0.84 JAK3 (0.44) FGFR3KDRL3MBTL1USP1WDR48
SCHEMBL10044592 0.82 FGFR3 (0.41) FGFR3KDRHDAC6HDAC1GABRA5
SCHEMBL10044612 0.82 JAK3 (0.43) FGFR3KDRUSP1WDR48JAK3
SCHEMBL10044610 0.80 ROCK2 (0.41) FGFR3KDRJAK3JAK2
SCHEMBL10044584 0.79 USP1 (0.42) FGFR3KDRPDE4BCYP1A2CYP3A4
SCHEMBL10044596 0.79 USP1 (0.42) FGFR3KDRPDE4BCYP1A2CYP3A4
SCHEMBL10125421 0.78 JAK2 (0.47) KDRCLK4JAK3JAK2
SCHEMBL10044585 0.74 FGFR3 (0.41) FGFR3KDRJAK3JAK2

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 FGFR3 574/4885KDR 997/4885PDE4B 2470/4885
US-20100160287-A1 COMPOUNDS USEFUL AS INHIBITORS OF JANUS KINASES JAK2, JAK1, JAK3 FGFR3 574/4885KDR 997/4885PDE4B 2470/4885
US-20140221336-A1 COMPOUNDS USEFUL AS INHIBITORS OF JANUS KINASES JAK2, JAK1, JAK3 FGFR3 574/4885KDR 997/4885PDE4B 2470/4885

“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.