SCHEMBL84455

SCHEMBL84455

COCCNc1nccc(C(C)C)n1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MKNK1 Q9BUB5 1/20 0.48
MKNK2 Q9HBH9 1/20 0.48
KDM4E B2RXH2 3/20 0.46
ATM Q13315 1/20 0.45
KCNH3 Q9ULD8 4/20 0.44
HTR7 P34969 2/20 0.43
CYP1A2 P05177 3/20 0.41
ALDH1A1 P00352 2/20 0.41
CYP2C19 P33261 2/20 0.41
ALOX15 P16050 1/20 0.41
HIF1A Q16665 1/20 0.41
HSD17B10 Q99714 1/20 0.41
P2RX3 P56373 1/20 0.40
P2RX2 Q9UBL9 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
CLK4 Q9HAZ1 2/20 0.39
DYRK3 O43781 1/20 0.39
PRKD3 O94806 1/20 0.39
MAP4K4 O95819 1/20 0.39
FLT4 P35916 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
SCHEMBL84013 0.91 EIF2AK2 (0.48) MKNK1MKNK2KDM4EATMKCNH3
SCHEMBL16815715 0.86 MKNK1 (0.47) MKNK1MKNK2KDM4EKCNH3HTR7
SCHEMBL84398 0.82 ACACB (0.42) KDM4EHTR7ALDH1A1MAPK9
SCHEMBL84065 0.81 MAPK9 (0.48) MKNK1MKNK2KDM4EHTR7ALDH1A1
SCHEMBL12986127 0.81 CXCR4 (0.50) HTR7ALDH1A1P2RX3P2RX2MAPK9
SCHEMBL13384588 0.79 HRH4 (0.52) KCNH3HTR7UTS2R
SCHEMBL91582 0.79 MKNK1 (0.51) MKNK1MKNK2KDM4EKCNH3CYP1A2
SCHEMBL84434 0.78 HPGD (0.44) KDM4EALDH1A1HSD17B10SMN1; SMN2
SCHEMBL84026 0.78 ACACB (0.40) MKNK1HTR7CYP1A2ALDH1A1CYP2C19
SCHEMBL13484501 0.78 NUDT1 (0.45) KDM4EKCNH3P2RX3P2RX2MAPK9

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 MKNK1 120/4885MKNK2 127/4885KDM4E 3041/4885
US-20130210818-A1 Novel Heterocyclic Compounds and Uses Thereof BRAF, RAF1, HRAS MKNK1 92/4885MKNK2 79/4885KDM4E 2526/4885

“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.