Sugi Predict

Sugi Predict / Compounds / SCHEMBL10044599

SCHEMBL10044599

SCHEMBL10044599

O=C(CNc1nc(-c2cccnc2)ncc1F)NCC(F)(F)F

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE4B Q07343 1/20 0.45
▸ FGFR3 P22607 6/20 0.44
▸ KDR P35968 4/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ LMNA P02545 2/20 0.43
▸ USP1 O94782 1/20 0.42
▸ WDR48 Q8TAF3 1/20 0.42
▸ JAK3 P52333 3/20 0.42
▸ JAK2 O60674 1/20 0.42
▸ CYP1A2 P05177 3/20 0.39
▸ CYP3A4 P08684 2/20 0.39
▸ TSHR P16473 1/20 0.39
▸ CLK4 Q9HAZ1 1/20 0.39
▸ CYP2C9 P11712 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ GABRA5 P31644 1/20 0.39
▸ KLKB1 P03952 2/20 0.39
▸ F2 P00734 1/20 0.39
▸ F10 P00742 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL10044593 0.90 FGFR3 (0.46) PDE4BFGFR3KDRL3MBTL1LMNA
SCHEMBL10044585 0.85 FGFR3 (0.41) FGFR3KDRJAK3JAK2
SCHEMBL10044589 0.83 JAK3 (0.45) FGFR3KDRL3MBTL1USP1WDR48
SCHEMBL10044603 0.81 JAK3 (0.44) FGFR3KDRL3MBTL1USP1WDR48
SCHEMBL10044598 0.81 FGFR3 (0.41) FGFR3KDRGABRA5
SCHEMBL10044596 0.81 USP1 (0.42) PDE4BFGFR3KDRL3MBTL1LMNA
SCHEMBL10044584 0.81 USP1 (0.42) PDE4BFGFR3KDRL3MBTL1LMNA
SCHEMBL14494133 0.77 JAK2 (0.48) JAK3JAK2
SCHEMBL10044591 0.74 FGFR3 (0.43) FGFR3KDRJAK3JAK2
SCHEMBL10044590 0.73 JAK3 (0.44) FGFR3KDRL3MBTL1USP1WDR48

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

“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.