SCHEMBL10044608

SCHEMBL10044608

O=C(NCC(F)(F)F)[C@@H]1CCCN1c1nc(-c2ccc(F)nc2)ncc1F

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GUCY1B2 O75343 3/20 0.40
GUCY1A2 P33402 3/20 0.40
GUCY1A1 Q02108 3/20 0.40
GUCY1B1 Q02153 3/20 0.40
SCN9A Q15858 1/20 0.38
AADAT Q8N5Z0 9/20 0.37
TRPA1 O75762 2/20 0.36
ACACB O00763 1/20 0.36
FGFR3 P22607 1/20 0.34
KDR P35968 1/20 0.34
CFD P00746 1/20 0.34
JAK2 O60674 1/20 0.34
JAK1 P23458 1/20 0.34
JAK3 P52333 1/20 0.34
NTRK1 P04629 1/20 0.34

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
SCHEMBL10044600 1.00 GUCY1B2 (0.40) GUCY1B2GUCY1A2GUCY1A1GUCY1B1SCN9A
SCHEMBL13305968 0.90 GUCY1B2 (0.40) GUCY1B2GUCY1A2GUCY1A1GUCY1B1AADAT
SCHEMBL10044694 0.89 AADAT (0.41) GUCY1B2GUCY1A2GUCY1A1GUCY1B1SCN9A
SCHEMBL10044617 0.87 F2 (0.41) GUCY1B2GUCY1A2GUCY1A1GUCY1B1AADAT
SCHEMBL10044597 0.87 F2 (0.41) GUCY1B2GUCY1A2GUCY1A1GUCY1B1AADAT
SCHEMBL13305971 0.86 ACACB (0.41) GUCY1B2GUCY1A2GUCY1A1GUCY1B1SCN9A
SCHEMBL10044809 0.86 GUCY1B2 (0.40) GUCY1B2GUCY1A2GUCY1A1GUCY1B1AADAT
SCHEMBL10044798 0.84 GUCY1B2 (0.40) GUCY1B2GUCY1A2GUCY1A1GUCY1B1AADAT
SCHEMBL10044674 0.84 GUCY1B2 (0.42) GUCY1B2GUCY1A2GUCY1A1GUCY1B1SCN9A
SCHEMBL10044690 0.84 GSK3B (0.41) GUCY1B2GUCY1A2GUCY1A1GUCY1B1AADAT

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.