SCHEMBL10044654

SCHEMBL10044654

CC(C)[C@@H](Nc1nc(-c2ccc3ncccc3c2)ncc1F)C(=O)NCC(F)(F)F

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 1/20 0.41
AKR1C2 P52895 1/20 0.41
FGFR3 P22607 9/20 0.40
JAK3 P52333 3/20 0.38
JAK2 O60674 1/20 0.38
KDR P35968 5/20 0.38
PDPK1 O15530 1/20 0.37
ALOX15 P16050 1/20 0.35
HTT P42858 1/20 0.35
PLK1 P53350 1/20 0.35
ADAM17 P78536 1/20 0.35
IRAK4 Q9NWZ3 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
SCHEMBL10044807 0.90 FGFR3 (0.39) FGFR3KDRIRAK4
SCHEMBL10044653 0.85 JAK3 (0.40) AKR1C3AKR1C2FGFR3JAK3JAK2
SCHEMBL10044792 0.83 FGFR3 (0.38) FGFR3JAK3JAK2KDR
SCHEMBL10044687 0.82 PI4KA (0.40) FGFR3
SCHEMBL10044648 0.81 FGFR3 (0.43) AKR1C3AKR1C2FGFR3JAK3JAK2
SCHEMBL10044759 0.81 FGFR3 (0.39) FGFR3KDR
SCHEMBL10044686 0.81 PRMT7 (0.46) FGFR3ALOX15HTT
SCHEMBL10044810 0.81 PRMT7 (0.46) FGFR3KDR
SCHEMBL10044660 0.80 PTGES (0.39) FGFR3JAK3JAK2KDR
SCHEMBL2630408 0.80 JAK3 (0.60) 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 5 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-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 AKR1C3 3469/4885AKR1C2 3384/4885FGFR3 574/4885
US-20100160287-A1 COMPOUNDS USEFUL AS INHIBITORS OF JANUS KINASES JAK2, JAK1, JAK3 AKR1C3 3469/4885AKR1C2 3384/4885FGFR3 574/4885
US-20140221336-A1 COMPOUNDS USEFUL AS INHIBITORS OF JANUS KINASES JAK2, JAK1, JAK3 AKR1C3 3469/4885AKR1C2 3384/4885FGFR3 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.