SCHEMBL10044674

SCHEMBL10044674

O=C(NCC(F)(F)F)[C@H]1CCCN1c1nc(-c2ccc3c(c2)OCO3)ncc1F

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GUCY1B2 O75343 3/20 0.42
GUCY1A2 P33402 3/20 0.42
GUCY1A1 Q02108 3/20 0.42
GUCY1B1 Q02153 3/20 0.42
NOS2 P35228 4/20 0.41
AADAT Q8N5Z0 1/20 0.39
F2 P00734 1/20 0.39
PRSS1 P07477 1/20 0.39
SCD5 Q86SK9 2/20 0.38
DYRK1A Q13627 2/20 0.38
CLK4 Q9HAZ1 2/20 0.38
FPR2 P25090 1/20 0.38
SCN9A Q15858 1/20 0.38
CCND1 P24385 1/20 0.37
CDK6 Q00534 1/20 0.37
ALDH1A1 P00352 2/20 0.37
TSHR P16473 1/20 0.37
MAPT P10636 1/20 0.37
KDM4E B2RXH2 1/20 0.36
GAA P10253 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
SCHEMBL10044798 0.95 GUCY1B2 (0.40) GUCY1B2GUCY1A2GUCY1A1GUCY1B1NOS2
SCHEMBL10044809 0.85 GUCY1B2 (0.40) GUCY1B2GUCY1A2GUCY1A1GUCY1B1AADAT
SCHEMBL13305968 0.85 GUCY1B2 (0.40) GUCY1B2GUCY1A2GUCY1A1GUCY1B1AADAT
SCHEMBL10044650 0.85 NOS2 (0.53) NOS2AADATSCD5DYRK1ACLK4
SCHEMBL10044608 0.84 GUCY1B2 (0.40) GUCY1B2GUCY1A2GUCY1A1GUCY1B1AADAT
SCHEMBL10044600 0.84 GUCY1B2 (0.40) GUCY1B2GUCY1A2GUCY1A1GUCY1B1AADAT
SCHEMBL10044690 0.83 GSK3B (0.41) GUCY1B2GUCY1A2GUCY1A1GUCY1B1AADAT
SCHEMBL13305971 0.82 ACACB (0.41) GUCY1B2GUCY1A2GUCY1A1GUCY1B1AADAT
SCHEMBL10044738 0.82 DYRK2 (0.40) GUCY1B2GUCY1A2GUCY1A1GUCY1B1AADAT
SCHEMBL10044694 0.81 AADAT (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 7 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
WO-2008116139-A2 N-HETEROCYCLIC COMPOUNDS USEFUL AS INHIBITORS OF JANUS KINASES VERTEX PHARMACEUTICALS INCORPORATED (US) 2008-09-25 WO 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.