SCHEMBL10134734

SCHEMBL10134734

CCNC(=O)c1cc(C)nnc1C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.40
NPSR1 Q6W5P4 1/20 0.40
HSD17B10 Q99714 1/20 0.40
LMNA P02545 1/20 0.40
HPGD P15428 2/20 0.37
NPC1 O15118 1/20 0.37
PDE2A O00408 2/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
ALDH1A1 P00352 3/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
GAA P10253 2/20 0.36
POLB P06746 1/20 0.36
KMT2A Q03164 2/20 0.36
BRD4 O60885 1/20 0.36
MEN1 O00255 1/20 0.35
CYP2C19 P33261 2/20 0.35
FUCA1 P04066 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2C9 P11712 1/20 0.35
RECQL P46063 1/20 0.35

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
SCHEMBL10134740 0.77 HPGD (0.49) KDM4ELMNAHPGDNPC1PDE2A
SCHEMBL10134761 0.76 CA2 (0.39) KDM4ELMNANPC1SMN1; SMN2FUCA1
SCHEMBL10174189 0.74 CNR1 (0.42) KDM4ENPSR1HSD17B10LMNAHPGD
SCHEMBL12359368 0.74 CNR1 (0.39) LMNAHPGDSMN1; SMN2
SCHEMBL10134744 0.73 PDE2A (0.52) PDE2AALDH1A1KMT2ACYP2C9
SCHEMBL10134759 0.73 OPRK1 (0.47) LMNAALDH1A1CYP1A2
SCHEMBL104257 0.72 ALDH1A1 (0.43) KDM4EHSD17B10HPGDALDH1A1SMN1; SMN2
SCHEMBL30886668 0.72 ALDH1A1 (0.43) KDM4EHSD17B10HPGDALDH1A1SMN1; SMN2
SCHEMBL104398 0.72 SMN1; SMN2 (0.58) KDM4EHSD17B10HPGDNPC1L3MBTL1
SCHEMBL10134760 0.72 PDE2A (0.46) PDE2A

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-8703770-B2 Pyridazine carboxamide orexin receptor antagonists MERCK SHARP & DOHME CORP. (US) 2014-04-22 US disclosed
US-20120046289-A1 Pyridazine Carboxamide Orexin Receptor Antagonists MERCK SHARP & DOHME CORP. 2012-02-23 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-20120046289-A1 Pyridazine Carboxamide Orexin Receptor Antagonists HCRTR2, HCRTR1, NPY5R KDM4E 1824/4885NPSR1 15/4885HSD17B10 2762/4885

“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.