SCHEMBL3882876

SCHEMBL3882876

CCOC(=O)n1nc(NC(=O)NCc2ccccc2)c2sc(C(=O)OC)cc21

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 2/20 0.45
MAPT P10636 2/20 0.45
ALDH1A1 P00352 3/20 0.43
KDM4E B2RXH2 2/20 0.43
GAA P10253 1/20 0.43
PPID Q08752 1/20 0.42
NPC1 O15118 3/20 0.40
RAB9A P51151 3/20 0.40
POLB P06746 2/20 0.40
MAPK13 O15264 1/20 0.40
MAPK12 P53778 1/20 0.40
MAPK11 Q15759 1/20 0.40
MAPK14 Q16539 1/20 0.40
ADORA3 P0DMS8 4/20 0.39
THRB P10828 1/20 0.39
CFTR P13569 1/20 0.39
MEN1 O00255 2/20 0.38
HPGD P15428 2/20 0.38
KMT2A Q03164 2/20 0.38
TP53 P04637 1/20 0.38

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
SCHEMBL3885139 0.91 SMN1; SMN2 (0.43) NAMPTMAPTALDH1A1KDM4EGAA
SCHEMBL3881479 0.85 LMNA (0.38) MAPTALDH1A1KDM4EGAANPC1
SCHEMBL3880293 0.82 KDM4E (0.36) MAPTALDH1A1KDM4EGAANPC1
SCHEMBL3891847 0.81 ALDH1A1 (0.48) MAPTALDH1A1KDM4EGAANPC1
SCHEMBL3883007 0.80 PIK3CA (0.36) MAPTALDH1A1KDM4ETP53ADORA1
SCHEMBL3879105 0.79 MAPK1 (0.49) MAPTALDH1A1KDM4ENPC1RAB9A
SCHEMBL3891831 0.78 P2RX3 (0.46) MAPTALDH1A1NPC1RAB9AMEN1
SCHEMBL3882557 0.77 TP53 (0.44) MAPTALDH1A1KDM4EGAANPC1
SCHEMBL3881422 0.77 SMN1; SMN2 (0.40) MAPTALDH1A1KDM4ENPC1RAB9A
SCHEMBL3879905 0.77 POLB (0.46) MAPTNPC1RAB9APOLBTHRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7485661-B2 Heterobicyclic pyrazole derivatives as kinase inhibitors PFIZER ITALIA S.R.L. (IT) 2009-02-03 US disclosed
EP-1534716-B1 HETEROBICYCLIC PYRAZOLE DERIVATIVES AS KINASE INHIBITORS PFIZER ITALIA SRL (IT) 2008-04-23 EP disclosed
US-20060160874-A1 Heterobicyclic pyrazole derivatives as kinase inhibitors PHARMACIA ITALIA S.P.A. (IT) 2006-07-20 US disclosed
EP-1534716-A1 HETEROBICYCLIC PYRAZOLE DERIVATIVES AS KINASE INHIBITORS Pharmacia Italia S.p.A. (IT) 2005-06-01 EP disclosed
WO-2004007504-A1 HETEROBICYCLIC PYRAZOLE DERIVATIVES AS KINASE INHIBITORS PHARMACIA ITALIA S.P.A. (IT) 2004-01-22 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 (1 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-20060160874-A1 Heterobicyclic pyrazole derivatives as kinase inhibitors MAP2K2, MAP3K15, MAP3K5 NAMPT 1319/4885MAPT 2511/4885ALDH1A1 3709/4885

“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.