SCHEMBL10044804

SCHEMBL10044804

O=C(NCC(F)(F)F)[C@H]1CCCN1c1ccnc(-c2ccc3ncsc3c2)n1

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
AADAT Q8N5Z0 8/20 0.39
FGFR3 P22607 2/20 0.37
KDR P35968 2/20 0.37
SYK P43405 1/20 0.37
CHRNA7 P36544 2/20 0.37
PFKFB3 Q16875 2/20 0.37
NOS2 P35228 1/20 0.36
CPT2 P23786 1/20 0.36
CPT1A P50416 1/20 0.36
IRAK4 Q9NWZ3 1/20 0.36
IKBKB O14920 1/20 0.36
CHUK O15111 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
SCHEMBL10044645 0.87 PIK3CA (0.42) AADATFGFR3KDR
SCHEMBL10044738 0.85 DYRK2 (0.40) AADATCHRNA7PFKFB3IRAK4
SCHEMBL10044652 0.85 GSK3B (0.45) AADATFGFR3KDRNOS2
SCHEMBL10044646 0.84 PIK3CA (0.44)
SCHEMBL10044801 0.83 AADAT (0.40) AADATFGFR3KDRSYKNOS2
SCHEMBL10044650 0.81 NOS2 (0.53) AADATFGFR3KDRNOS2
SCHEMBL10044797 0.80 FPR2 (0.43) AADATNOS2
SCHEMBL10044688 0.79 AADAT (0.39) AADATFGFR3KDRNOS2CPT2
SCHEMBL10044643 0.79 FPR2 (0.41) AADATFGFR3KDRSYK
SCHEMBL10044787 0.76 F2 (0.37) AADATFGFR3KDRNOS2

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 AADAT 1255/4885FGFR3 574/4885KDR 997/4885
US-20100160287-A1 COMPOUNDS USEFUL AS INHIBITORS OF JANUS KINASES JAK2, JAK1, JAK3 AADAT 1255/4885FGFR3 574/4885KDR 997/4885
US-20140221336-A1 COMPOUNDS USEFUL AS INHIBITORS OF JANUS KINASES JAK2, JAK1, JAK3 AADAT 1255/4885FGFR3 574/4885KDR 997/4885

“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.