SCHEMBL84398

SCHEMBL84398

CCCNc1nccc(C(C)C)n1

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ACACB O00763 1/20 0.42
KDM4E B2RXH2 1/20 0.41
HRH4 Q9H3N8 6/20 0.41
DNM2 P50570 2/20 0.40
CDC7 O00311 1/20 0.40
HTR7 P34969 2/20 0.39
MERTK Q12866 2/20 0.38
ALDH1A1 P00352 1/20 0.36
MAPK8 P45983 1/20 0.36
HTR3A P46098 1/20 0.36
MAPK9 P45984 1/20 0.36
MAPK10 P53779 1/20 0.36

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
SCHEMBL13384588 0.90 HRH4 (0.52) HRH4DNM2HTR7MERTKMAPK8
SCHEMBL84026 0.86 ACACB (0.40) ACACBHRH4HTR7ALDH1A1HTR3A
SCHEMBL12986127 0.85 CXCR4 (0.50) HRH4HTR7ALDH1A1HTR3AMAPK9
SCHEMBL84065 0.85 MAPK9 (0.48) KDM4EHRH4HTR7MERTKALDH1A1
SCHEMBL84455 0.82 MKNK1 (0.48) KDM4EHTR7ALDH1A1MAPK9
SCHEMBL21797185 0.82 KMT2A (0.43) ACACBHRH4DNM2CDC7HTR7
SCHEMBL12986130 0.82 DNM2 (0.53) HRH4DNM2HTR7
SCHEMBL13484501 0.82 NUDT1 (0.45) KDM4EHRH4DNM2MERTKMAPK9
SCHEMBL84439 0.81 HRH4 (0.54) ACACBHRH4CDC7
SCHEMBL13384589 0.80 HTR7 (0.62) KDM4EHRH4HTR7ALDH1A1MAPK8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9670172-B2 Heterocyclic compounds and methods of use MEDIVATION TECHNOLOGIES, INC. (US) 2017-06-06 US disclosed
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 ACACB 1921/4885KDM4E 3041/4885HRH4 2437/4885
US-20130210818-A1 Novel Heterocyclic Compounds and Uses Thereof BRAF, RAF1, HRAS ACACB 1032/4885KDM4E 2526/4885HRH4 3096/4885

“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.