Sugi Predict

Sugi Predict / Compounds / SCHEMBL10044759

SCHEMBL10044759

SCHEMBL10044759

COc1ccc(-c2ncc(F)c(N[C@@H](C(=O)NCC(F)(F)F)C(C)C)n2)cc1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ FGFR3 P22607 6/20 0.39
▸ HTRA1 Q92743 4/20 0.39
▸ ULK1 O75385 1/20 0.39
▸ ALDH1A1 P00352 2/20 0.38
▸ TRPV3 Q8NET8 1/20 0.37
▸ ACACB O00763 1/20 0.36
▸ ADORA3 P0DMS8 1/20 0.36
▸ FOS P01100 1/20 0.36
▸ JUN P05412 1/20 0.36
▸ NFKB1 P19838 1/20 0.36
▸ NFKB2 Q00653 1/20 0.36
▸ RELA Q04206 1/20 0.36
▸ KDR P35968 1/20 0.36
▸ POLB P06746 1/20 0.36
▸ TDP1 Q9NUW8 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
SCHEMBL10044660 0.90 PTGES (0.39) FGFR3ULK1KDR
SCHEMBL10044792 0.89 FGFR3 (0.38) FGFR3ULK1TRPV3KDR
SCHEMBL10044807 0.83 FGFR3 (0.39) FGFR3ULK1TRPV3KDR
SCHEMBL10044673 0.83 FGFR3 (0.37) FGFR3ULK1TRPV3KDR
SCHEMBL10072529 0.82 CLK4 (0.47) HTRA1ULK1ALDH1A1ADORA3
SCHEMBL10044810 0.81 PRMT7 (0.46) FGFR3ALDH1A1KDR
SCHEMBL10044654 0.81 AKR1C3 (0.41) FGFR3KDR
SCHEMBL10044686 0.81 PRMT7 (0.46) FGFR3ALDH1A1ADORA3
SCHEMBL10044595 0.80 PTGES (0.40) FGFR3ULK1KDR
SCHEMBL10044732 0.79 ULK1 (0.42) FGFR3ULK1FOSJUNNFKB1

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 FGFR3 574/4885HTRA1 4067/4885ULK1 181/4885
US-20100160287-A1 COMPOUNDS USEFUL AS INHIBITORS OF JANUS KINASES JAK2, JAK1, JAK3 FGFR3 574/4885HTRA1 4067/4885ULK1 181/4885
US-20140221336-A1 COMPOUNDS USEFUL AS INHIBITORS OF JANUS KINASES JAK2, JAK1, JAK3 FGFR3 574/4885HTRA1 4067/4885ULK1 181/4885

“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.