SCHEMBL6312249

SCHEMBL6312249

c1ccc2nc3c(nc2c1)CCNC3

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 5/20 0.47
PNMT P11086 1/20 0.43
CD44 P16070 1/20 0.43
MAOB P27338 1/20 0.43
PARP1 P09874 1/20 0.43
TNKS2 Q9H2K2 1/20 0.43
PARP2 Q9UGN5 1/20 0.43
CYP3A4 P08684 1/20 0.42
MAPT P10636 2/20 0.42
HTR2A P28223 2/20 0.38
HTR2B P41595 2/20 0.38
PDCD1 Q15116 2/20 0.37
CD274 Q9NZQ7 2/20 0.37
APEX1 P27695 1/20 0.37
SIGMAR1 Q99720 1/20 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
SCHEMBL6313436 0.89 HTR2C (0.48) HTR2CPARP1TNKS2PARP2CYP3A4
SCHEMBL30751773 0.76 CYP3A4 (0.55) HTR2CPNMTCD44MAOBCYP3A4
SCHEMBL222040 0.76 HTR2C (0.49) HTR2CPNMTCD44MAOBPARP1
SCHEMBL2401358 0.76 CYP3A4 (0.55) HTR2CPNMTCD44MAOBCYP3A4
SCHEMBL222039 0.73 PARP1 (0.37) HTR2CPNMTCD44MAOBPARP1
SCHEMBL223109 0.73 MAPT (0.36) HTR2CPNMTCD44MAOBPARP1
SCHEMBL7976500 0.72 ALDH1A1 (0.54) HTR2CCYP3A4MAPTHTR2AHTR2B
SCHEMBL14572403 0.72 BCHE (0.53) CYP3A4MAPT
SCHEMBL6607889 0.72 MAPT (0.60) HTR2CMAOBCYP3A4MAPTHTR2A
SCHEMBL6610838 0.72 ACHE (0.62) CYP3A4MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6930185-B2 Melanin-concentrating hormone antagonist TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2005-08-16 US disclosed
US-20040077628-A1 Melanin-concentrating hormone antagonist TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-04-22 US disclosed
EP-1285651-A1 MELANIN CONCENTRATING HORMONE ANTAGONISTS Takeda Chemical Industries, Ltd. (JP) 2003-02-26 EP 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-20040077628-A1 Melanin-concentrating hormone antagonist MCHR1, MC1R, MCHR2 HTR2C 107/4885PNMT 463/4885CD44 4078/4885

“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.