SCHEMBL10156558

SCHEMBL10156558

Cc1cc(N=O)ccc1N1CCC(N(C)C)C1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 1/20 0.40
PIM3 Q86V86 1/20 0.40
PIM2 Q9P1W9 1/20 0.40
WDR5 P61964 2/20 0.37
HTR1D P28221 2/20 0.37
HTR3A P46098 2/20 0.37
HTR6 P50406 2/20 0.37
TMEM97 Q5BJF2 2/20 0.37
MAPK8 P45983 2/20 0.37
BTK Q06187 2/20 0.37
MRGPRX2 Q96LB1 2/20 0.37
HTR1A P08908 1/20 0.37
DRD2 P14416 1/20 0.37
HTR1B P28222 1/20 0.37
SLC6A3 Q01959 1/20 0.37
ADRA1B P35368 1/20 0.37
MAPK10 P53779 1/20 0.36
HRH3 Q9Y5N1 3/20 0.36
HRH4 Q9H3N8 2/20 0.36
MCHR1 Q99705 3/20 0.35

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
SCHEMBL10036162 0.79 ALDH1A1 (0.54) PIM1PIM3PIM2WDR5HTR1D
SCHEMBL24267833 0.79 MCHR1 (0.48) HTR6MCHR1KCNH2
SCHEMBL25675644 0.78 HRH4 (0.40) PIM1PIM3PIM2WDR5HTR1D
SCHEMBL25675646 0.78 HRH4 (0.40) PIM1PIM3PIM2WDR5HTR1D
SCHEMBL13935184 0.77 HTR6 (0.43) PIM1PIM3PIM2HTR1DHTR3A
SCHEMBL17955710 0.75 PIM1 (0.51) PIM1PIM3PIM2WDR5HTR1D
SCHEMBL12323258 0.74 PIM2 (0.71) PIM1PIM3PIM2
SCHEMBL29520387 0.73 EML4 (0.43) HRH3
SCHEMBL10157222 0.73 EML4 (0.43) HRH3
SCHEMBL24267748 0.73 MAP4K4 (0.47) MCHR1MAP4K4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120040968-A1 DIAMINO HETEROCYCLIC CARBOXAMIDE COMPOUND WATERS TECHNOLOGIES CORPORATION (US) 2012-02-16 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-20120040968-A1 DIAMINO HETEROCYCLIC CARBOXAMIDE COMPOUND EML4, ALK, ERBB4 PIM1 273/4885PIM3 381/4885PIM2 415/4885

“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.