SCHEMBL84013

SCHEMBL84013

COCCCNc1nccc(C(C)C)n1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EIF2AK2 P19525 2/20 0.48
KCNH3 Q9ULD8 1/20 0.46
HTT P42858 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
HSD17B10 Q99714 1/20 0.42
HTR7 P34969 2/20 0.41
MAPK13 O15264 1/20 0.41
MAPK12 P53778 1/20 0.41
MAPK11 Q15759 1/20 0.41
MAPK14 Q16539 1/20 0.41
MKNK1 Q9BUB5 1/20 0.41
MKNK2 Q9HBH9 1/20 0.41
KDM4E B2RXH2 2/20 0.40
ALDH1A1 P00352 1/20 0.39
ATM Q13315 1/20 0.38
ADRA1D P25100 1/20 0.38
ADRA1A P35348 1/20 0.38
ADRA1B P35368 1/20 0.38
HRH4 Q9H3N8 1/20 0.37
CCNT1 O60563 1/20 0.37

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
SCHEMBL84455 0.91 MKNK1 (0.48) EIF2AK2KCNH3SMN1; SMN2HSD17B10HTR7
SCHEMBL13384588 0.83 HRH4 (0.52) KCNH3HTR7HRH4DNM2
SCHEMBL13484501 0.82 NUDT1 (0.45) KCNH3HTTKDM4EHRH4DNM2
SCHEMBL13524816 0.80 EIF2AK2 (0.54) EIF2AK2KCNH3HTTSMN1; SMN2HSD17B10
SCHEMBL84398 0.80 ACACB (0.42) HTR7KDM4EALDH1A1HRH4DNM2
SCHEMBL12986127 0.78 CXCR4 (0.50) HTR7ALDH1A1HRH4
SCHEMBL84065 0.78 MAPK9 (0.48) EIF2AK2HTR7MKNK1MKNK2KDM4E
SCHEMBL16815715 0.78 MKNK1 (0.47) EIF2AK2KCNH3SMN1; SMN2HSD17B10HTR7
SCHEMBL11988630 0.77 EIF2AK2 (0.48) EIF2AK2KCNH3HTTSMN1; SMN2HSD17B10
SCHEMBL84434 0.76 HPGD (0.44) HTTSMN1; SMN2HSD17B10KDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8865732-B2 Heterocyclic compounds and uses thereof NOVARTIS AG (CH) 2014-10-21 US disclosed
US-20130210818-A1 Novel Heterocyclic Compounds and Uses Thereof NOVARTIS AG (CH) 2013-08-15 US disclosed
US-8129394-B2 Heteroaryl-substituted imidazole compounds and uses thereof NOVARTIS AG (CH) 2012-03-06 US disclosed
US-8129394-B2 Heteroaryl-substituted imidazole compounds and uses thereof NOVARTIS AG (CH) 2012-03-06 US disclosed
US-20100003246-A1 Novel heterocyclic compounds and uses therof NOVARTIS AG (CH) 2010-01-07 US disclosed
US-20100003246-A1 Novel heterocyclic compounds and uses therof NOVARTIS AG (CH) 2010-01-07 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 (2 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-20100003246-A1 Novel heterocyclic compounds and uses therof BRAF, ARAF, KRAS EIF2AK2 1680/4885KCNH3 4595/4885HTT 2408/4885
US-20130210818-A1 Novel Heterocyclic Compounds and Uses Thereof BRAF, RAF1, HRAS EIF2AK2 1666/4885KCNH3 3814/4885HTT 3739/4885

“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.