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Sugi Predict / Compounds / SCHEMBL10044737

SCHEMBL10044737

SCHEMBL10044737

CN(C)C(=O)c1cc(-c2ncc(F)c(N3CCC[C@@H]3C(=O)NCC(F)(F)F)n2)c[nH]1

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ GUCY1B2 O75343 5/20 0.37
▸ GUCY1A2 P33402 5/20 0.37
▸ GUCY1A1 Q02108 5/20 0.37
▸ GUCY1B1 Q02153 5/20 0.37
▸ JAK2 O60674 6/20 0.35
▸ JAK1 P23458 6/20 0.35
▸ JAK3 P52333 6/20 0.35
▸ ACACB O00763 1/20 0.35
▸ NTRK1 P04629 1/20 0.34
▸ ALK Q9UM73 1/20 0.34
▸ ROCK2 O75116 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ AADAT Q8N5Z0 4/20 0.33
▸ FGFR3 P22607 1/20 0.32
▸ KDR P35968 1/20 0.32
▸ CNR1 P21554 1/20 0.32
▸ CNR2 P34972 1/20 0.32

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
SCHEMBL10044774 0.90 GUCY1B2 (0.40) GUCY1B2GUCY1A2GUCY1A1GUCY1B1JAK2
SCHEMBL10044742 0.90 GUCY1B2 (0.38) GUCY1B2GUCY1A2GUCY1A1GUCY1B1JAK2
SCHEMBL10044711 0.88 GUCY1B2 (0.37) GUCY1B2GUCY1A2GUCY1A1GUCY1B1ACACB
SCHEMBL10044716 0.88 GUCY1B2 (0.38) GUCY1B2GUCY1A2GUCY1A1GUCY1B1JAK2
SCHEMBL10044745 0.87 GUCY1B2 (0.37) GUCY1B2GUCY1A2GUCY1A1GUCY1B1JAK2
SCHEMBL10044744 0.87 GUCY1B2 (0.37) GUCY1B2GUCY1A2GUCY1A1GUCY1B1JAK2
SCHEMBL10044734 0.84 AADAT (0.45) GUCY1B2GUCY1A2GUCY1A1GUCY1B1AADAT
SCHEMBL10044766 0.84 GUCY1B2 (0.38) GUCY1B2GUCY1A2GUCY1A1GUCY1B1JAK2
SCHEMBL13305968 0.80 GUCY1B2 (0.40) GUCY1B2GUCY1A2GUCY1A1GUCY1B1ACACB
SCHEMBL10044608 0.79 GUCY1B2 (0.40) GUCY1B2GUCY1A2GUCY1A1GUCY1B1JAK2

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 GUCY1B2 2434/4885GUCY1A2 2764/4885GUCY1A1 2301/4885
US-20100160287-A1 COMPOUNDS USEFUL AS INHIBITORS OF JANUS KINASES JAK2, JAK1, JAK3 GUCY1B2 2434/4885GUCY1A2 2764/4885GUCY1A1 2301/4885
US-20140221336-A1 COMPOUNDS USEFUL AS INHIBITORS OF JANUS KINASES JAK2, JAK1, JAK3 GUCY1B2 2434/4885GUCY1A2 2764/4885GUCY1A1 2301/4885

“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.