SCHEMBL3043563

SCHEMBL3043563

Cn1nnc(-c2[c]cccc2)n1

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.37
NFKB1 P19838 1/20 0.37
RAB9A P51151 1/20 0.37
NFKB2 Q00653 1/20 0.37
RELA Q04206 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
PDK2 Q15119 1/20 0.37
PPARA Q07869 1/20 0.35
TRPM8 Q7Z2W7 1/20 0.35
EPHX2 P34913 1/20 0.33
TP53 P04637 1/20 0.33
DRD2 P14416 1/20 0.32
KMT2A Q03164 1/20 0.31
KDM2B Q8NHM5 1/20 0.31
KDM4C Q9H3R0 1/20 0.31

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
SCHEMBL8318475 0.78 LMNA (0.49) RAB9ASMN1; SMN2TRPM8
SCHEMBL1672983 0.71 PPARA (0.35) PPARADRD2
SCHEMBL344042 0.71 RAB9A (0.53) NPC1NFKB1RAB9ANFKB2RELA
SCHEMBL2649520 0.69 SMN1; SMN2 (0.41) SMN1; SMN2
SCHEMBL5844 0.68 SMN1; SMN2 (0.42) NPC1NFKB1RAB9ANFKB2RELA
SCHEMBL1848925 0.68 BRD4 (0.40) KDM4C
SCHEMBL2215870 0.67 KMT2A (0.52) EPHX2KMT2A
SCHEMBL1823663 0.67 PPARA (0.40) NPC1NFKB1RAB9ANFKB2RELA
SCHEMBL467198 0.66 KDM4E (0.35) NPC1RAB9ASMN1; SMN2TP53KMT2A
SCHEMBL115447 0.66 CYP3A4 (0.33) SMN1; SMN2

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100261758-A1 HETEROCYCLIC AMIDES FOR USE AS PHARMACEUTICALS NOVARTIS AG (CH) 2010-10-14 US disclosed
EP-2001851-A2 AMIDE DERIVATIVES AND THEIR APPLICATION FOR THE TREAMENT OF G PROTEIN RELATED DISEASES Novartis AG (CH) 2008-12-17 EP disclosed
WO-2007110237-A2 AMIDE DERIVATIVES AND THEIR APPLICATION FOR THE TREATMENT OF G PROTEIN RELATED DISEASES NOVARTIS AG (CH) 2007-10-04 WO disclosed
EP-0934940-A1 CYTOKINE PRODUCTION INHIBITORS, TRIAZEPINE COMPOUNDS, AND INTERMEDIATES THEREOF Japan Tobacco Inc. (JP) 1999-08-11 EP disclosed
WO-1994020062-A2 BALANOIDS AS PROTEIN KINASE C INHIBITORS ELI LILLY AND COMPANY (US) 1994-09-15 WO 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-20100261758-A1 HETEROCYCLIC AMIDES FOR USE AS PHARMACEUTICALS HRH4, CNR1, CNR2 NPC1 736/4885NFKB1 4187/4885RAB9A 1263/4885

“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.