SCHEMBL13165484

SCHEMBL13165484

CC(C)(C)c1c(Cl)nc(Cl)nc1NC1CC1

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 1/20 0.36
KMT2A Q03164 1/20 0.36
PDE4A P27815 3/20 0.36
EHMT2 Q96KQ7 1/20 0.35
ADORA3 P0DMS8 3/20 0.33
ADORA2A P29274 2/20 0.33
ADORA1 P30542 2/20 0.33
AXL P30530 1/20 0.33
CHRM3 P20309 2/20 0.33
PDE4B Q07343 2/20 0.33
PDE4C Q08493 2/20 0.33
PDE4D Q08499 2/20 0.33
YTHDC1 Q96MU7 1/20 0.32

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
SCHEMBL13184884 0.72 PDE4A (0.41) PDE10AKMT2APDE4AEHMT2ADORA3
SCHEMBL501400 0.72 ALDH1A1 (0.39) PDE4A
SCHEMBL12526927 0.69 CYP1A2 (0.40) PDE10AKMT2A
SCHEMBL17625052 0.69 KMT2A (0.36) PDE10AKMT2APDE4AEHMT2ADORA3
SCHEMBL19822682 0.69 KMT2A (0.36) PDE10AKMT2APDE4AEHMT2ADORA3
Hydrochloric Acid SCHEMBL1748472 0.68 CYP1A2 (0.39) PDE10AKMT2A
SCHEMBL14852943 0.67 PDE10A (0.51) PDE10AKMT2APDE4ACHRM3PDE4B
SCHEMBL16714483 0.67 KMT2A (0.44) PDE10AKMT2APDE4AADORA3ADORA2A
SCHEMBL21554085 0.66 POLB (0.40) KMT2AADORA3ADORA2AADORA1AXL
SCHEMBL28537305 0.65 KDM4E (0.40) PDE10AKMT2APDE4AADORA3ADORA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7803821-B2 N-cyclopropyl-N-[(3,4-dimethoxypyridin-2-yl)methyl]-5-fluoro-1,3-dimethyl-1H-pyrazole-4-carboxamide; control of phytopathogenic fungi of plants BAYER CROPSCIENCE SA (FR) 2010-09-28 US disclosed
US-20090270461-A1 Fungicide n-cycloalkyl-carboxamide, thiocarboxamide and n-substituted-carboximidamide derivatives BAYER INTELLECTUAL PROPERTY GMBH (DE) 2009-10-29 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-20090270461-A1 Fungicide n-cycloalkyl-carboxamide, thiocarboxamide and n-substituted-carboximidamide derivatives NRDC, CBR3, NR2C2 PDE10A 2679/4885KMT2A 2347/4885PDE4A 3480/4885

“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.