Sugi Predict

Sugi Predict / Compounds / SCHEMBL10044801

SCHEMBL10044801

SCHEMBL10044801

O=C(NCC(F)(F)F)[C@H]1CCCN1c1ccnc(-c2ccc(O)cc2)n1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ AADAT Q8N5Z0 6/20 0.40
▸ MTOR P42345 1/20 0.40
▸ CTSS P25774 1/20 0.40
▸ PIK3CD O00329 2/20 0.39
▸ PIK3CA P42336 2/20 0.39
▸ NOS2 P35228 1/20 0.39
▸ FPR2 P25090 3/20 0.38
▸ SCN9A Q15858 3/20 0.38
▸ FGFR3 P22607 2/20 0.38
▸ KDR P35968 2/20 0.38
▸ SYK P43405 1/20 0.37
▸ CYP3A4 P08684 2/20 0.36
▸ ERG P11308 2/20 0.36
▸ GPBAR1 Q8TDU6 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
SCHEMBL10044797 0.89 FPR2 (0.43) AADATMTORCTSSPIK3CDPIK3CA
SCHEMBL10044688 0.86 AADAT (0.39) AADATMTORCTSSNOS2SCN9A
SCHEMBL10044643 0.85 FPR2 (0.41) AADATCTSSPIK3CDPIK3CAFPR2
SCHEMBL10044650 0.85 NOS2 (0.53) AADATNOS2FPR2SCN9AFGFR3
SCHEMBL10044652 0.85 GSK3B (0.45) AADATCTSSNOS2FGFR3KDR
SCHEMBL10044804 0.83 AADAT (0.39) AADATNOS2FGFR3KDRSYK
SCHEMBL13305968 0.83 GUCY1B2 (0.40) AADATFGFR3KDR
SCHEMBL10044645 0.82 PIK3CA (0.42) AADATPIK3CDPIK3CAFGFR3KDR
SCHEMBL10044787 0.81 F2 (0.37) AADATCTSSNOS2FGFR3KDR
SCHEMBL10072309 0.79 F2 (0.36) AADATCTSSNOS2FGFR3KDR

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 AADAT 1255/4885MTOR 109/4885CTSS 2366/4885
US-20100160287-A1 COMPOUNDS USEFUL AS INHIBITORS OF JANUS KINASES JAK2, JAK1, JAK3 AADAT 1255/4885MTOR 109/4885CTSS 2366/4885
US-20140221336-A1 COMPOUNDS USEFUL AS INHIBITORS OF JANUS KINASES JAK2, JAK1, JAK3 AADAT 1255/4885MTOR 109/4885CTSS 2366/4885

“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.