SCHEMBL10155949

SCHEMBL10155949

Cc1cc(N=O)ccc1N1C[C@@H](C)N[C@@H](C)C1

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.41
HTR6 P50406 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.36
GHSR Q92847 12/20 0.35
CDK4 P11802 1/20 0.35
CCND1 P24385 1/20 0.35
FLT3 P36888 1/20 0.35
ALDH1A1 P00352 2/20 0.35
ALDH1A3 P47895 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
SCHEMBL10157101 0.82 CDK4 (0.34) HTTGHSRCDK4CCND1ALDH1A1
SCHEMBL21336837 0.79 HTT (0.42) HTTHTR6GHSRALDH1A1
SCHEMBL24123782 0.76 HTT (0.40) HTTHTR6L3MBTL1GHSRFLT3
SCHEMBL10126807 0.76 MAPT (0.56) HTTHTR6L3MBTL1GHSRFLT3
SCHEMBL8737585 0.75 HTR3A (0.56) HTR6ALDH1A1ALDH1A3
SCHEMBL23328642 0.74 HTT (0.39) HTTHTR6L3MBTL1GHSRFLT3
SCHEMBL10126809 0.74 HTT (0.69) HTTL3MBTL1ALDH1A1
SCHEMBL16585816 0.72 ADRB1 (0.52) HTTGHSRALDH1A1
SCHEMBL18043600 0.72 ADRB1 (0.52) HTTGHSRALDH1A1
SCHEMBL10156558 0.71 PIM1 (0.40) HTR6

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 HTT 3739/4885HTR6 4042/4885L3MBTL1 1714/4885

“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.