SCHEMBL3879905

SCHEMBL3879905

CCOC(=O)n1nc(NC(=O)c2ccc(C(C)(C)C)cc2)c2sc(C(=O)OC)cc21

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.46
NPSR1 Q6W5P4 1/20 0.46
LMNA P02545 6/20 0.42
TP53 P04637 8/20 0.41
MAPT P10636 3/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
NPC1 O15118 3/20 0.40
RAB9A P51151 2/20 0.40
THRB P10828 2/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
MAPK1 P28482 1/20 0.40
HTT P42858 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
F2 P00734 1/20 0.39
KMT2A Q03164 1/20 0.39
GRIN2C Q14957 1/20 0.39
MAP3K5 Q99683 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
SCHEMBL3891082 0.90 MAPT (0.44) NPSR1LMNATP53MAPTNPC1
SCHEMBL3885721 0.87 MAPT (0.42) NPSR1LMNATP53MAPTSMN1; SMN2
SCHEMBL3885572 0.85 MAPT (0.47) NPSR1LMNATP53MAPTTHRB
SCHEMBL3888588 0.85 CHRM1 (0.35) POLBNPSR1LMNAMAPTSMN1; SMN2
SCHEMBL3891798 0.83 RAB9A (0.52) LMNAMAPTSMN1; SMN2NPC1RAB9A
SCHEMBL3879105 0.82 MAPK1 (0.49) NPSR1LMNATP53MAPTSMN1; SMN2
SCHEMBL3880293 0.82 KDM4E (0.36) POLBNPSR1LMNAMAPTSMN1; SMN2
SCHEMBL3891831 0.82 P2RX3 (0.46) LMNAMAPTSMN1; SMN2NPC1RAB9A
SCHEMBL3891076 0.82 GRM5 (0.42) TP53
SCHEMBL3891847 0.81 ALDH1A1 (0.48) NPSR1TP53MAPTSMN1; SMN2NPC1

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 POLB 1185/4885NPSR1 4651/4885LMNA 3710/4885

“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.