SCHEMBL13524816

SCHEMBL13524816

COCCCNc1nccc(C)n1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EIF2AK2 P19525 2/20 0.54
KCNH3 Q9ULD8 2/20 0.49
HTT P42858 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
HSD17B10 Q99714 2/20 0.45
MAPK13 O15264 1/20 0.43
MAPK12 P53778 1/20 0.43
MAPK11 Q15759 1/20 0.43
MAPK14 Q16539 1/20 0.43
MKNK1 Q9BUB5 1/20 0.43
MKNK2 Q9HBH9 1/20 0.43
LMNA P02545 1/20 0.42
NPSR1 Q6W5P4 1/20 0.41
HRH4 Q9H3N8 1/20 0.40
IGF1R P08069 1/20 0.39
FGFR1 P11362 1/20 0.39
KDR P35968 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
MAPT P10636 1/20 0.39

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
SCHEMBL91582 0.90 MKNK1 (0.51) EIF2AK2KCNH3SMN1; SMN2HSD17B10MKNK1
SCHEMBL13403107 0.81 HRH4 (0.56) KCNH3HTTSMN1; SMN2LMNANPSR1
SCHEMBL11988630 0.80 EIF2AK2 (0.48) EIF2AK2KCNH3HTTSMN1; SMN2HSD17B10
SCHEMBL84013 0.80 EIF2AK2 (0.48) EIF2AK2KCNH3HTTSMN1; SMN2HSD17B10
SCHEMBL13484616 0.80 NUDT1 (0.49) EIF2AK2KCNH3HTTNPSR1HRH4
SCHEMBL28248600 0.80 DNM2 (0.57) KCNH3HTTNPSR1HRH4MAPT
SCHEMBL12844540 0.79 EIF2AK2 (0.47) EIF2AK2KCNH3HTTSMN1; SMN2HSD17B10
SCHEMBL4716836 0.79 HRH3 (0.45) NPSR1HRH4KDRMAPTCYP2C9
SCHEMBL12775924 0.78 EIF2AK2 (0.46) EIF2AK2KCNH3HTTSMN1; SMN2HSD17B10
SCHEMBL91452 0.78 NPSR1 (0.46) SMN1; SMN2LMNANPSR1HRH4NPC1

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 3 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-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.