SCHEMBL10134740

SCHEMBL10134740

CCNC(=O)c1cc(-c2ccccc2)nnc1C

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.49
NPC1 O15118 2/20 0.49
PDE2A O00408 1/20 0.46
CASP1 P29466 3/20 0.46
TACR3 P29371 1/20 0.45
ALDH1A1 P00352 4/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
RECQL P46063 1/20 0.43
KMT2A Q03164 2/20 0.42
HTT P42858 2/20 0.42
KDM4E B2RXH2 1/20 0.42
MEN1 O00255 1/20 0.42
LMNA P02545 1/20 0.42
MAPT P10636 1/20 0.42
RAB9A P51151 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
PIN1 Q13526 1/20 0.42

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
SCHEMBL10134744 0.87 PDE2A (0.52) PDE2ACASP1ALDH1A1CYP2C9KMT2A
SCHEMBL10134747 0.86 CASP1 (0.62) HPGDPDE2ACASP1TACR3ALDH1A1
SCHEMBL10134751 0.81 KDM4E (0.65) HPGDNPC1ALDH1A1KMT2AHTT
SCHEMBL12024784 0.77 NPC1 (0.49) HPGDNPC1PDE2AALDH1A1CYP1A2
SCHEMBL10134734 0.77 KDM4E (0.40) HPGDNPC1PDE2AALDH1A1CYP1A2
SCHEMBL10134750 0.77 HCRTR1 (0.50) CASP1ALDH1A1CYP2C9KMT2AHTT
SCHEMBL16200737 0.74 KDM4E (0.48) HPGDNPC1PDE2ATACR3ALDH1A1
SCHEMBL7217604 0.73 CHRNB2 (0.68) ALDH1A1KMT2AHTTMEN1LMNA
SCHEMBL12391548 0.72 PTGER4 (0.47) HPGDNPC1ALDH1A1CYP1A2CYP2C9
SCHEMBL439511 0.70 ACVR1 (0.52) HPGDNPC1PDE2AKDM4ERAB9A

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 HPGD 660/4885NPC1 1260/4885PDE2A 2326/4885

“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.