Sugi Predict

Sugi Predict / Compounds / SCHEMBL10044586

SCHEMBL10044586

SCHEMBL10044586

C[C@H](Nc1nc(-c2ccc(N)nc2)ncc1F)C(=O)NCC(F)(F)F

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ PI4KB Q9UBF8 4/20 0.41
▸ PIK3C2A O00443 2/20 0.41
▸ PIK3C2B O00750 2/20 0.41
▸ STK17A Q9UEE5 2/20 0.41
▸ PIK3CD O00329 1/20 0.41
▸ DYRK3 O43781 1/20 0.41
▸ MAP4K4 O95819 1/20 0.41
▸ CDK9 P50750 1/20 0.41
▸ MAP4K2 Q12851 1/20 0.41
▸ FGFR3 P22607 11/20 0.38
▸ ABL1 P00519 1/20 0.37
▸ BCR P11274 1/20 0.37
▸ ULK1 O75385 3/20 0.37
▸ KDR P35968 6/20 0.36
▸ RPS6KA4 O75676 1/20 0.36
▸ CYP3A4 P08684 1/20 0.36
▸ TBK1 Q9UHD2 1/20 0.36

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
SCHEMBL10044583 0.90 FGFR3 (0.39) FGFR3ULK1KDRTBK1
SCHEMBL10044616 0.90 FGFR3 (0.39) FGFR3ULK1KDRTBK1
SCHEMBL10044595 0.87 PTGES (0.40) FGFR3ULK1KDR
SCHEMBL10044582 0.85 FGFR3 (0.39) FGFR3KDRTBK1
SCHEMBL10044584 0.84 USP1 (0.42) FGFR3KDRCYP3A4
SCHEMBL10044596 0.84 USP1 (0.42) FGFR3KDRCYP3A4
SCHEMBL10044581 0.80 FGFR3 (0.41) FGFR3ULK1KDRTBK1
SCHEMBL10044609 0.80 JAK3 (0.42) CDK9FGFR3ABL1KDR
SCHEMBL10044594 0.78 JAK3 (0.44) CDK9FGFR3ABL1KDR
SCHEMBL10044660 0.78 PTGES (0.39) FGFR3ULK1KDR

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 PI4KB 141/4885PIK3C2A 110/4885PIK3C2B 106/4885
US-20100160287-A1 COMPOUNDS USEFUL AS INHIBITORS OF JANUS KINASES JAK2, JAK1, JAK3 PI4KB 141/4885PIK3C2A 110/4885PIK3C2B 106/4885
US-20140221336-A1 COMPOUNDS USEFUL AS INHIBITORS OF JANUS KINASES JAK2, JAK1, JAK3 PI4KB 141/4885PIK3C2A 110/4885PIK3C2B 106/4885

“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.