Sugi Predict

Sugi Predict / Compounds / SCHEMBL10044596

SCHEMBL10044596

SCHEMBL10044596

C[C@@H](Nc1nc(-c2cccnc2)ncc1F)C(=O)NCC(F)(F)F

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ USP1 O94782 1/20 0.42
▸ WDR48 Q8TAF3 1/20 0.42
▸ PDE4B Q07343 1/20 0.41
▸ FGFR3 P22607 5/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ LMNA P02545 1/20 0.41
▸ MEN1 O00255 1/20 0.40
▸ CLK1 P49759 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ JAK3 P52333 2/20 0.40
▸ JAK2 O60674 1/20 0.40
▸ CYP1A2 P05177 3/20 0.40
▸ CYP3A4 P08684 2/20 0.40
▸ KLKB1 P03952 2/20 0.40
▸ MAPT P10636 2/20 0.40
▸ THRB P10828 1/20 0.40
▸ TSHR P16473 1/20 0.40
▸ CLK4 Q9HAZ1 1/20 0.40
▸ CYP2C9 P11712 1/20 0.40
▸ CYP2C19 P33261 1/20 0.40

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
SCHEMBL10044584 1.00 USP1 (0.42) USP1WDR48PDE4BFGFR3L3MBTL1
SCHEMBL10044582 0.89 FGFR3 (0.39) FGFR3JAK3JAK2GABRA5KDR
SCHEMBL10044583 0.86 FGFR3 (0.39) USP1WDR48FGFR3KDR
SCHEMBL10044616 0.86 FGFR3 (0.39) USP1WDR48FGFR3KDR
SCHEMBL10044586 0.84 PI4KB (0.41) FGFR3CYP3A4KDR
SCHEMBL10044594 0.84 JAK3 (0.44) USP1WDR48FGFR3JAK3JAK2
SCHEMBL10044595 0.83 PTGES (0.40) FGFR3GABRA5KDR
SCHEMBL10044587 0.83 JAK3 (0.43) USP1WDR48FGFR3JAK3JAK2
SCHEMBL10044609 0.82 JAK3 (0.42) USP1WDR48FGFR3JAK3JAK2
SCHEMBL10044581 0.82 FGFR3 (0.41) FGFR3KDR

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 USP1 2284/4885WDR48 3212/4885PDE4B 2470/4885
US-20100160287-A1 COMPOUNDS USEFUL AS INHIBITORS OF JANUS KINASES JAK2, JAK1, JAK3 USP1 2284/4885WDR48 3212/4885PDE4B 2470/4885
US-20140221336-A1 COMPOUNDS USEFUL AS INHIBITORS OF JANUS KINASES JAK2, JAK1, JAK3 USP1 2284/4885WDR48 3212/4885PDE4B 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.