SCHEMBL10134751

SCHEMBL10134751

Cc1nnc(-c2ccccc2)cc1C(=O)NCc1ccccn1

nearest known ligand 0.65

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.65
ALDH1A1 P00352 6/20 0.65
LMNA P02545 8/20 0.64
HTT P42858 4/20 0.64
RAB9A P51151 4/20 0.62
NPC1 O15118 2/20 0.62
TP53 P04637 1/20 0.62
HPGD P15428 6/20 0.62
SMN1; SMN2 Q16637 3/20 0.62
MAPT P10636 1/20 0.57
POLB P06746 1/20 0.56
ADORA2A P29274 2/20 0.56
ADORA1 P30542 2/20 0.56
L3MBTL1 Q9Y468 1/20 0.55
MAPK1 P28482 1/20 0.54
KMT2A Q03164 1/20 0.54
TSHR P16473 1/20 0.53

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
SCHEMBL10134747 0.84 CASP1 (0.62) KDM4EALDH1A1HTTHPGDSMN1; SMN2
SCHEMBL12359371 0.83 KDM4E (0.65) KDM4EALDH1A1LMNAHTTRAB9A
SCHEMBL12024781 0.82 LMNA (0.62) KDM4EALDH1A1LMNAHTTRAB9A
SCHEMBL10134740 0.81 HPGD (0.49) KDM4EALDH1A1LMNAHTTRAB9A
SCHEMBL27680029 0.78 LMNA (1.00) KDM4EALDH1A1LMNAHTTRAB9A
SCHEMBL12391554 0.78 LMNA (0.66) KDM4EALDH1A1LMNAHTTRAB9A
SCHEMBL5321616 0.75 HPGD (0.69) KDM4EALDH1A1LMNAHTTRAB9A
SCHEMBL249932 0.75 HPGD (0.58) KDM4EALDH1A1LMNAHTTRAB9A
SCHEMBL11829949 0.74 LMNA (0.72) KDM4EALDH1A1LMNAHTTRAB9A
SCHEMBL6450710 0.73 TACR3 (0.76) KDM4EALDH1A1LMNAHTTRAB9A

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 1824/4885ALDH1A1 3353/4885LMNA 2800/4885

“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.