SCHEMBL4926893

SCHEMBL4926893

O=C(c1cc(-c2ccc(Cl)cn2)n(-c2cccnc2)n1)N1CCC[C@@H](F)C1

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 9/20 0.45
MALT1 Q9UDY8 2/20 0.43
MARS1 P56192 2/20 0.42
MGLL Q99685 1/20 0.40
CHRNA7 P36544 1/20 0.40
NTRK1 P04629 1/20 0.40
SCD O00767 1/20 0.39
SCD5 Q86SK9 1/20 0.39
PROKR1 Q8TCW9 1/20 0.38
SPR P35270 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
SCHEMBL4935125 0.90 MGLL (0.47) MALT1MARS1MGLLCHRNA7
SCHEMBL4925391 0.90 KDM1A (0.44) KDM1A
SCHEMBL4927907 0.85 KDM1A (0.46) KDM1AMALT1MGLL
SCHEMBL4931848 0.82 CHRNA7 (0.46) MALT1MARS1MGLLCHRNA7
SCHEMBL4933051 0.82 MGLL (0.51) MALT1MARS1MGLLNTRK1
SCHEMBL4931030 0.82 MGLL (0.45) MALT1MARS1MGLLNTRK1SPR
SCHEMBL4932922 0.81 MALT1 (0.52) KDM1AMALT1MARS1MGLLCHRNA7
SCHEMBL14564105 0.80 NTRK1 (0.49) MALT1MARS1MGLLNTRK1
SCHEMBL14261654 0.79 KDM1A (0.43) KDM1AMGLL
SCHEMBL4931595 0.79 VNN1 (0.42) KDM1AMALT1MARS1MGLLCHRNA7

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 4 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
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 KDM1A 559/4885MALT1 2474/4885MARS1 760/4885

“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.