SCHEMBL10044652

SCHEMBL10044652

O=C(NCC(F)(F)F)[C@H]1CCCN1c1ccnc(-c2ccc3ncccc3c2)n1

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 2/20 0.45
AADAT Q8N5Z0 6/20 0.42
FGFR3 P22607 5/20 0.40
KDR P35968 5/20 0.40
HTR3A P46098 1/20 0.40
POLB P06746 1/20 0.38
CTSS P25774 1/20 0.38
UCHL1 P09936 1/20 0.38
USP30 Q70CQ3 1/20 0.38
NOS2 P35228 1/20 0.37
HPGD P15428 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
SCHEMBL10044690 0.86 GSK3B (0.41) GSK3BAADATFGFR3KDRHTR3A
SCHEMBL10044804 0.85 AADAT (0.39) AADATFGFR3KDRNOS2
SCHEMBL10044801 0.85 AADAT (0.40) AADATFGFR3KDRCTSSNOS2
SCHEMBL10044645 0.83 PIK3CA (0.42) AADATFGFR3KDR
SCHEMBL10044650 0.83 NOS2 (0.53) AADATFGFR3KDRNOS2
SCHEMBL10044797 0.81 FPR2 (0.43) AADATCTSSNOS2
SCHEMBL10044646 0.81 PIK3CA (0.44) HPGD
SCHEMBL10044688 0.81 AADAT (0.39) AADATFGFR3KDRCTSSNOS2
SCHEMBL10044643 0.80 FPR2 (0.41) AADATFGFR3KDRCTSS
SCHEMBL10044787 0.77 F2 (0.37) AADATFGFR3KDRCTSSNOS2

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 GSK3B 477/4885AADAT 1255/4885FGFR3 574/4885
US-20100160287-A1 COMPOUNDS USEFUL AS INHIBITORS OF JANUS KINASES JAK2, JAK1, JAK3 GSK3B 477/4885AADAT 1255/4885FGFR3 574/4885
US-20140221336-A1 COMPOUNDS USEFUL AS INHIBITORS OF JANUS KINASES JAK2, JAK1, JAK3 GSK3B 477/4885AADAT 1255/4885FGFR3 574/4885

“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.