SCHEMBL83989

SCHEMBL83989

CC(C)c1ccnc(NCCNC(=O)CO)n1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 5/20 0.36
MAPK9 P45984 1/20 0.35
MAPK10 P53779 1/20 0.35
RAB9A P51151 2/20 0.35
MEN1 O00255 1/20 0.35
NPC1 O15118 1/20 0.35
KMT2A Q03164 1/20 0.35
ACACB O00763 1/20 0.34
BCHE P06276 1/20 0.34
ACHE P22303 1/20 0.34
ALDH1A1 P00352 3/20 0.33
HTR7 P34969 2/20 0.33
S1PR1 P21453 1/20 0.33
S1PR3 Q99500 1/20 0.33
LMNA P02545 1/20 0.33
MAPK8 P45983 1/20 0.33
PLK1 P53350 1/20 0.33
HRH3 Q9Y5N1 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33

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
SCHEMBL84366 0.86 CYP1A2 (0.44) HRH4RAB9AMEN1NPC1KMT2A
SCHEMBL84434 0.86 HPGD (0.44) RAB9AMEN1NPC1KMT2ABCHE
SCHEMBL15185726 0.82 FASN (0.42) RAB9AMEN1NPC1KMT2ALMNA
SCHEMBL84065 0.81 MAPK9 (0.48) HRH4MAPK9MAPK10MEN1KMT2A
SCHEMBL13484501 0.79 NUDT1 (0.45) HRH4MAPK9MAPK10RAB9ANPC1
SCHEMBL84398 0.76 ACACB (0.42) HRH4MAPK9MAPK10ACACBALDH1A1
SCHEMBL12986127 0.75 CXCR4 (0.50) HRH4MAPK9MAPK10ALDH1A1HTR7
SCHEMBL84377 0.75 KDM4D (0.45) HRH4MAPK9MAPK10ALDH1A1HTR7
SCHEMBL13384588 0.74 HRH4 (0.52) HRH4NPC1HTR7MAPK8
SCHEMBL84026 0.73 ACACB (0.40) HRH4ACACBALDH1A1HTR7LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (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-20100003246-A1 Novel heterocyclic compounds and uses therof BRAF, ARAF, KRAS HRH4 2437/4885MAPK9 425/4885MAPK10 311/4885

“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.