SCHEMBL10156545

SCHEMBL10156545

CNC(=O)c1cccc(N=O)c1Cl

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.49
PLK1 P53350 1/20 0.46
PDK2 Q15119 1/20 0.41
TAS1R3 Q7RTX0 1/20 0.40
TAS1R1 Q7RTX1 1/20 0.40
TAS1R2 Q8TE23 1/20 0.40
P2RX7 Q99572 1/20 0.38
MTNR1A P48039 1/20 0.38
ALDH1A1 P00352 1/20 0.37
BRD4 O60885 2/20 0.37
BRD2 P25440 1/20 0.37
BRD3 Q15059 1/20 0.37
BRDT Q58F21 1/20 0.37
JAK2 O60674 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 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
SCHEMBL3786271 0.83 PLK1 (0.57) GAAPLK1PDK2TAS1R3TAS1R1
SCHEMBL12826287 0.79 TSHR (0.46) PDK2ALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL1742047 0.79 GAA (0.67) GAAPLK1PDK2TAS1R3TAS1R1
SCHEMBL4143751 0.78 TAS1R3 (0.60) GAAPLK1TAS1R3TAS1R1TAS1R2
SCHEMBL13681950 0.78 TSHR (0.59) PDK2ALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL7981657 0.77 TAS1R3 (0.54) GAAPLK1PDK2TAS1R3TAS1R1
SCHEMBL21391472 0.77 PLK1 (0.50) GAAPLK1PDK2TAS1R3TAS1R1
SCHEMBL31547716 0.77 TAS1R3 (0.54) GAAPLK1PDK2TAS1R3TAS1R1
SCHEMBL10156678 0.75 P2RX7 (0.50) GAAPLK1PDK2TAS1R3TAS1R1
SCHEMBL24252064 0.72 CTSS (0.47) GAAPLK1PDK2TAS1R3TAS1R1

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 GAA 3821/4885PLK1 1966/4885PDK2 968/4885

“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.