SCHEMBL4929980

SCHEMBL4929980

O=C(c1cc(-c2ccc(Cl)cn2)n(-c2cccnc2)n1)N1CCCCN1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MARS1 P56192 3/20 0.44
MALT1 Q9UDY8 1/20 0.41
CHRNA7 P36544 1/20 0.36
DHODH Q02127 1/20 0.36
MEN1 O00255 1/20 0.36
MAPT P10636 1/20 0.36
KMT2A Q03164 1/20 0.36
GRM5 P41594 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.35
SYK P43405 1/20 0.35
MGLL Q99685 2/20 0.35
PPP1CA P62136 1/20 0.34
TSHR P16473 1/20 0.33
CHRNB2 P17787 1/20 0.33
CHRNA4 P43681 1/20 0.33
GRM1 Q13255 1/20 0.33
SCD O00767 1/20 0.33
SCD5 Q86SK9 1/20 0.33

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
SCHEMBL4924423 0.89 CYP3A4 (0.38) MARS1MALT1GRM5MGLLCHRNB2
SCHEMBL4935021 0.87 GRM1 (0.37) MARS1MALT1GRM5SYKMGLL
SCHEMBL4927976 0.86 CYP3A4 (0.39) MARS1GRM5MGLLCHRNB2CHRNA4
SCHEMBL4927982 0.83 MARS1 (0.44) MARS1MALT1CHRNA7DHODHMEN1
SCHEMBL4933051 0.81 MGLL (0.51) MARS1MALT1MEN1MAPTKMT2A
SCHEMBL4932725 0.81 MARS1 (0.64) MARS1MEN1KMT2AL3MBTL1PPP1CA
SCHEMBL14564105 0.81 NTRK1 (0.49) MARS1MALT1MEN1MAPTKMT2A
SCHEMBL4935125 0.80 MGLL (0.47) MARS1MALT1CHRNA7MEN1MAPT
SCHEMBL4931595 0.80 VNN1 (0.42) MARS1MALT1CHRNA7GRM5MGLL
SCHEMBL4931848 0.80 CHRNA7 (0.46) MARS1MALT1CHRNA7MEN1MAPT

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-20080064682-A1 Pyrazole Derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2008-03-13 US disclosed
US-20080064682-A1 Pyrazole Derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2008-03-13 US disclosed
US-20080064682-A1 Pyrazole Derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2008-03-13 US disclosed
CN-1980912-A Pyrazole derivatives DAIICHI SEIYAKU CO (JP) 2007-06-13 CN disclosed
EP-1762568-A1 PYRAZOLE DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-03-14 EP disclosed
EP-1762568-A1 PYRAZOLE DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-03-14 EP 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-20080064682-A1 Pyrazole Derivatives NAT1, AR, CBR3 MARS1 760/4885MALT1 2474/4885CHRNA7 3075/4885

“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.