Sugi Predict

Sugi Predict / Compounds / SCHEMBL10044686

SCHEMBL10044686

SCHEMBL10044686

CC(C)[C@@H](Nc1nc(-c2ccc3c(c2)OCO3)ncc1F)C(=O)NCC(F)(F)F

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PRMT7 Q9NVM4 2/20 0.46
▸ CLK4 Q9HAZ1 5/20 0.41
▸ CYP1A2 P05177 3/20 0.41
▸ CYP3A4 P08684 3/20 0.41
▸ CYP2D6 P10635 3/20 0.41
▸ CYP2C19 P33261 3/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ MAPT P10636 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ CCND1 P24385 2/20 0.38
▸ CDK6 Q00534 2/20 0.38
▸ TRPV1 Q8NER1 1/20 0.38
▸ MEN1 O00255 2/20 0.38
▸ USP2 O75604 2/20 0.38
▸ ALOX15 P16050 2/20 0.38
▸ MAPK1 P28482 2/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ HSD17B10 Q99714 2/20 0.38
▸ FGFR3 P22607 3/20 0.38
▸ ADORA1 P30542 3/20 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
SCHEMBL10044810 0.95 PRMT7 (0.46) PRMT7CLK4CYP1A2CYP3A4CYP2D6
SCHEMBL13305844 0.84 CLK4 (0.48) CLK4CYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL10044792 0.83 FGFR3 (0.38) FGFR3
SCHEMBL10044807 0.83 FGFR3 (0.39) CDK6FGFR3
SCHEMBL10044644 0.81 PRMT7 (0.46) PRMT7CLK4CYP1A2CYP3A4CYP2D6
SCHEMBL10044759 0.81 FGFR3 (0.39) ALDH1A1FGFR3ADORA3
SCHEMBL10044654 0.81 AKR1C3 (0.41) HTTALOX15FGFR3
SCHEMBL10044660 0.80 PTGES (0.39) FGFR3
SCHEMBL10044673 0.79 FGFR3 (0.37) FGFR3
SCHEMBL10044687 0.79 PI4KA (0.40) ALDH1A1HSD17B10FGFR3

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 PRMT7 1103/4885CLK4 1038/4885CYP1A2 4024/4885
US-20100160287-A1 COMPOUNDS USEFUL AS INHIBITORS OF JANUS KINASES JAK2, JAK1, JAK3 PRMT7 1103/4885CLK4 1038/4885CYP1A2 4024/4885
US-20140221336-A1 COMPOUNDS USEFUL AS INHIBITORS OF JANUS KINASES JAK2, JAK1, JAK3 PRMT7 1103/4885CLK4 1038/4885CYP1A2 4024/4885

“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.