SCHEMBL5522335

SCHEMBL5522335

CCN(C)C(=O)c1cc(-c2ccc(CN)cc2)n(-c2cccnc2)n1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MARS1 P56192 3/20 0.47
MALT1 Q9UDY8 2/20 0.43
RPA1 P27694 4/20 0.41
MDM2 Q00987 3/20 0.41
MCL1 Q07820 2/20 0.41
BCL2 P10415 1/20 0.41
CHRNA7 P36544 1/20 0.41
SLC16A3 O15427 1/20 0.41
SLC16A1 P53985 1/20 0.41
CYP2A6 P11509 1/20 0.39
PPP1CA P62136 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
CNR1 P21554 1/20 0.38
CNR2 P34972 1/20 0.38
CACNA1G O43497 1/20 0.38
CACNA1H O95180 1/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
HDAC1 Q13547 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
SCHEMBL5519928 0.85 RPA1 (0.48) MARS1MALT1RPA1MDM2MCL1
SCHEMBL5524365 0.85 RPA1 (0.44) MARS1MALT1RPA1MDM2MCL1
Hydrochloric Acid SCHEMBL5151848 0.81 MALT1 (0.43) MALT1RPA1MDM2MCL1BCL2
SCHEMBL6207899 0.81 CHRNA7 (0.55) MARS1MALT1RPA1MDM2MCL1
SCHEMBL5523089 0.80 CNR1 (0.53) MARS1MALT1SLC16A3SLC16A1CYP2A6
Hydrochloric Acid SCHEMBL5148814 0.80 CHRNA7 (0.54) MARS1MALT1RPA1MDM2MCL1
SCHEMBL5522089 0.74 MALT1 (0.35) MALT1RPA1
SCHEMBL14504508 0.74 MALT1 (0.42) MALT1RPA1MDM2MCL1BCL2
SCHEMBL14504509 0.73 CHRNA7 (0.53) MARS1MALT1RPA1MDM2MCL1
SCHEMBL14504623 0.71 MALT1 (0.43) MARS1MALT1RPA1MDM2MCL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070219210-A1 Amidopyrazole Derivative DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-09-20 US disclosed
EP-1698626-A1 AMIDOPYRAZOLE DERIVATIVE DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2006-09-06 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-20070219210-A1 Amidopyrazole Derivative PTGER1, PTGS1, PTGER2 MARS1 2982/4885MALT1 3117/4885RPA1 1661/4885

“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.