SCHEMBL4097491

SCHEMBL4097491

O=C1Cc2cccnc2-c2cc(F)ccc21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTAFR P25105 2/20 0.41
GSK3A P49840 1/20 0.38
GSK3B P49841 1/20 0.38
CDK5 Q00535 1/20 0.38
CDK5R1 Q15078 1/20 0.38
CYP11B2 P19099 4/20 0.38
TDP2 O95551 1/20 0.37
NSD2 O96028 1/20 0.37
ABL1 P00519 1/20 0.37
PLCG1 P19174 1/20 0.37
CES1 P23141 1/20 0.37
PAX8 Q06710 1/20 0.37
RIN1 Q13671 1/20 0.37
MEN1 O00255 1/20 0.37
THRB P10828 1/20 0.37
BLM P54132 1/20 0.37
KMT2A Q03164 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
GAA P10253 1/20 0.37
CYP1A2 P05177 1/20 0.37

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
SCHEMBL18462352 0.94 PTAFR (0.41) PTAFRGSK3AGSK3BCDK5CDK5R1
SCHEMBL9672570 0.81 PTAFR (0.44) PTAFRCYP11B2CYP1A2CYP2C19PARP1
SCHEMBL29623787 0.75 TDP2 (0.55) TDP2NSD2ABL1PLCG1CES1
SCHEMBL2438461 0.74 PTPRC (0.65) TDP2NSD2ABL1PLCG1CES1
SCHEMBL18462347 0.74 PTAFR (0.56) PTAFRCYP11B2MEN1KMT2AMAPK14
SCHEMBL6178996 0.73 PTAFR (0.55) PTAFRTDP2NSD2ABL1PLCG1
SCHEMBL9829298 0.73 MAPK14 (0.55) PTAFRCYP11B2MEN1KMT2AMAPK14
SCHEMBL17369322 0.72 CA1 (0.47) TDP2PARP1PARP10
SCHEMBL29845641 0.72 CA1 (0.47) TDP2PARP1PARP10
SCHEMBL18462344 0.71 PTPRC (0.65) TDP2NSD2ABL1PLCG1CES1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090215766-A1 TETRACYCLIC INHIBITORS OF JANUS KINASES INCYTE CORPORATION 2009-08-27 US disclosed
US-20060106020-A1 Tetracyclic inhibitors of Janus kinases INCYTE CORPORATION 2006-05-18 US disclosed
WO-2005105814-A1 TETRACYCLIC INHIBITORS OF JANUS KINASES INCYTE CORPORATION (US) 2005-11-10 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 (2 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-20090215766-A1 TETRACYCLIC INHIBITORS OF JANUS KINASES JAK1, JAK2, JAK3 PTAFR 850/4885GSK3A 1243/4885GSK3B 1276/4885
US-20060106020-A1 Tetracyclic inhibitors of Janus kinases JAK1, JAK2, JAK3 PTAFR 850/4885GSK3A 1243/4885GSK3B 1276/4885

“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.