SCHEMBL10044597

SCHEMBL10044597

O=C(NCC(F)(F)F)[C@H]1CCCN1c1nc(-c2cccnc2)ncc1F

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
F2 P00734 2/20 0.41
PRSS1 P07477 1/20 0.41
GUCY1B2 O75343 3/20 0.40
GUCY1A2 P33402 3/20 0.40
GUCY1A1 Q02108 3/20 0.40
GUCY1B1 Q02153 3/20 0.40
CCNK O75909 1/20 0.38
CDK12 Q9NYV4 1/20 0.38
AADAT Q8N5Z0 5/20 0.37
TSHR P16473 1/20 0.37
JAK3 P52333 2/20 0.37
JAK2 O60674 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
FGFR3 P22607 1/20 0.37
KDR P35968 1/20 0.37
GBA1 P04062 1/20 0.36
ADORA2B P29275 1/20 0.36
CYP2C19 P33261 1/20 0.36
HCRTR1 O43613 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
SCHEMBL10044617 1.00 F2 (0.41) F2PRSS1GUCY1B2GUCY1A2GUCY1A1
SCHEMBL10044608 0.87 GUCY1B2 (0.40) GUCY1B2GUCY1A2GUCY1A1GUCY1B1AADAT
SCHEMBL10044600 0.87 GUCY1B2 (0.40) GUCY1B2GUCY1A2GUCY1A1GUCY1B1AADAT
SCHEMBL13305968 0.86 GUCY1B2 (0.40) GUCY1B2GUCY1A2GUCY1A1GUCY1B1AADAT
SCHEMBL10044611 0.86 GUCY1B2 (0.40) F2PRSS1GUCY1B2GUCY1A2GUCY1A1
SCHEMBL10044624 0.86 GUCY1B2 (0.40) F2PRSS1GUCY1B2GUCY1A2GUCY1A1
SCHEMBL10044690 0.85 GSK3B (0.41) GUCY1B2GUCY1A2GUCY1A1GUCY1B1AADAT
SCHEMBL10044809 0.85 GUCY1B2 (0.40) GUCY1B2GUCY1A2GUCY1A1GUCY1B1AADAT
SCHEMBL10044694 0.84 AADAT (0.41) GUCY1B2GUCY1A2GUCY1A1GUCY1B1AADAT
SCHEMBL13305971 0.83 ACACB (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 F2 1603/4885PRSS1 1752/4885GUCY1B2 2434/4885
US-20100160287-A1 COMPOUNDS USEFUL AS INHIBITORS OF JANUS KINASES JAK2, JAK1, JAK3 F2 1603/4885PRSS1 1752/4885GUCY1B2 2434/4885
US-20140221336-A1 COMPOUNDS USEFUL AS INHIBITORS OF JANUS KINASES JAK2, JAK1, JAK3 F2 1603/4885PRSS1 1752/4885GUCY1B2 2434/4885

“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.