SCHEMBL4245776

SCHEMBL4245776

CN(C)C(C)(C)c1nnc2n1CCN(C(=O)OCc1ccccc1)C2

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
SMN1; SMN2 Q16637 3/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
CYP2C19 P33261 1/20 0.41
PDK2 Q15119 2/20 0.41
TMEM97 Q5BJF2 8/20 0.41
SIGMAR1 Q99720 8/20 0.41
HTR1A P08908 1/20 0.41
ADRA2A P08913 1/20 0.41
ADRA2B P18089 1/20 0.41
ADRA2C P18825 1/20 0.41
DRD1 P21728 1/20 0.41
HRH2 P25021 1/20 0.41
HTR1B P28222 1/20 0.41
HTR2A P28223 1/20 0.41
HTR2C P28335 1/20 0.41
HTR1E P28566 1/20 0.41

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
SCHEMBL10095052 0.80 PDK2 (0.54) MEN1KMT2ANPSR1SMN1; SMN2NPC1
Trifluoroacetic Acid SCHEMBL4251945 0.77 PDK2 (0.41) MEN1KMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL20368927 0.76 MEN1 (0.45) MEN1KMT2ASMN1; SMN2PDK2PDK1
SCHEMBL26126715 0.76 PTGDR2 (0.44) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL1964904 0.75 MEN1 (0.46) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL1967826 0.74 MEN1 (0.48) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL12742493 0.74 SMN1; SMN2 (0.43) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL11914882 0.74 SMN1; SMN2 (0.43) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL1976458 0.73 MEN1 (0.47) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL5776138 0.73 MEN1 (0.46) MEN1KMT2ANPSR1SMN1; 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2029551-B1 PYRIDINONE AND PYRIDAZINONE DERIVATIVES AS INHIBITORS OF POLY(ADP-RIBOSE)POLYMERASE (PARP) MSD ITALIA SRL (IT) 2018-10-31 EP disclosed
US-8188084-B2 Pyridinone and pyridazinone derivatives as inhibitors of poly (ADP-ribose) polymerase (PARP) ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA. (IT) 2012-05-29 US disclosed
US-20090176765-A1 Pyridinone and Pyridazinone Derivatives as Inhibitors of Poly (Adp-Ribose) Polymerase (Parp) MSD ITALIA S.R.L. (IT) 2009-07-09 US 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-20090176765-A1 Pyridinone and Pyridazinone Derivatives as Inhibitors of Poly (Adp-Ribose) Polymerase (Parp) PARP1, PARP2, PARP3 MEN1 3352/4885KMT2A 3801/4885NPSR1 4084/4885

“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.