SCHEMBL10044738

SCHEMBL10044738

O=C(NCC(F)(F)F)[C@H]1CCCN1c1nc(-c2ccc3ncsc3c2)ncc1F

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
DYRK2 Q92630 5/20 0.40
AADAT Q8N5Z0 7/20 0.40
GUCY1B2 O75343 3/20 0.38
GUCY1A2 P33402 3/20 0.38
GUCY1A1 Q02108 3/20 0.38
GUCY1B1 Q02153 3/20 0.38
PFKFB3 Q16875 1/20 0.37
IRAK4 Q9NWZ3 1/20 0.37
CHRNA7 P36544 2/20 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
SCHEMBL10044809 0.88 GUCY1B2 (0.40) AADATGUCY1B2GUCY1A2GUCY1A1GUCY1B1
SCHEMBL10044671 0.87 PIK3CA (0.41) AADATGUCY1B2GUCY1A2GUCY1A1GUCY1B1
SCHEMBL14070845 0.87 PIK3CA (0.41) AADATGUCY1B2GUCY1A2GUCY1A1GUCY1B1
SCHEMBL10044804 0.85 AADAT (0.39) AADATPFKFB3IRAK4CHRNA7
SCHEMBL10044695 0.85 PIK3CA (0.43)
SCHEMBL10044690 0.85 GSK3B (0.41) AADATGUCY1B2GUCY1A2GUCY1A1GUCY1B1
SCHEMBL13305968 0.84 GUCY1B2 (0.40) AADATGUCY1B2GUCY1A2GUCY1A1GUCY1B1
SCHEMBL10044600 0.83 GUCY1B2 (0.40) AADATGUCY1B2GUCY1A2GUCY1A1GUCY1B1
SCHEMBL10044608 0.83 GUCY1B2 (0.40) AADATGUCY1B2GUCY1A2GUCY1A1GUCY1B1
SCHEMBL10044798 0.82 GUCY1B2 (0.40) AADATGUCY1B2GUCY1A2GUCY1A1GUCY1B1

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 DYRK2 811/4885AADAT 1255/4885GUCY1B2 2434/4885
US-20100160287-A1 COMPOUNDS USEFUL AS INHIBITORS OF JANUS KINASES JAK2, JAK1, JAK3 DYRK2 811/4885AADAT 1255/4885GUCY1B2 2434/4885
US-20140221336-A1 COMPOUNDS USEFUL AS INHIBITORS OF JANUS KINASES JAK2, JAK1, JAK3 DYRK2 811/4885AADAT 1255/4885GUCY1B2 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.