SCHEMBL5519928

SCHEMBL5519928

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

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
RPA1 P27694 1/20 0.48
MARS1 P56192 3/20 0.46
MALT1 Q9UDY8 1/20 0.43
BCL2 P10415 1/20 0.42
MDM2 Q00987 1/20 0.42
MCL1 Q07820 1/20 0.42
KDM1A O60341 13/20 0.42
SLC16A3 O15427 1/20 0.40
SLC16A1 P53985 1/20 0.40

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
SCHEMBL5522335 0.85 MARS1 (0.47) RPA1MARS1MALT1BCL2MDM2
SCHEMBL5522098 0.83 MARS1 (0.64) RPA1MARS1BCL2MDM2MCL1
SCHEMBL5524647 0.83 KMT2A (0.52) RPA1MARS1BCL2MDM2MCL1
SCHEMBL5524365 0.81 RPA1 (0.44) RPA1MARS1MALT1BCL2MDM2
SCHEMBL5531835 0.79 CNR1 (0.51) RPA1MARS1MALT1KDM1ASLC16A3
SCHEMBL5519940 0.76 RPA1 (0.38) RPA1MALT1KDM1A
SCHEMBL16876862 0.73 CA9 (0.55) RPA1KDM1A
SCHEMBL16876774 0.73 RPA1 (0.60) RPA1MARS1BCL2MDM2MCL1
SCHEMBL4929781 0.72 KMT2A (0.51) BCL2MDM2MCL1
SCHEMBL5521163 0.72 OXTR (0.45) RPA1MALT1KDM1A

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 RPA1 1661/4885MARS1 2982/4885MALT1 3117/4885

“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.