SCHEMBL6344285

SCHEMBL6344285

COC(=O)CCc1nc(N)nc(N)c1-c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.62

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ GHSR Q92847 5/20 0.55
▸ NCOA1 Q15788 1/20 0.44
▸ NCOA3 Q9Y6Q9 1/20 0.44
▸ REN P00797 2/20 0.43
▸ CYP3A4 P08684 1/20 0.43
▸ HEXA P06865 2/20 0.43
▸ HEXB P07686 2/20 0.43
▸ MAPT P10636 1/20 0.43
▸ CYP2D6 P10635 1/20 0.42

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
SCHEMBL6342306 0.86 GHSR (0.54) GHSRNCOA1NCOA3HEXAHEXB
Hydrochloric Acid SCHEMBL6353018 0.85 GHSR (0.53) GHSRNCOA1NCOA3HEXAHEXB
SCHEMBL6344289 0.81 GHSR (0.59) GHSRMAPT
SCHEMBL6244594 0.79 GHSR (0.76) GHSRNCOA1NCOA3CYP3A4HEXA
SCHEMBL6339577 0.79 GHSR (0.58) GHSR
SCHEMBL4841496 0.76 DHFR (0.61) HEXAHEXB
SCHEMBL6245854 0.72 GHSR (0.59) GHSRNCOA1NCOA3CYP3A4CYP2D6
SCHEMBL1350027 0.72 MAPT (0.57) MAPT
SCHEMBL6243748 0.71 GHSR (0.81) GHSR
SCHEMBL14813146 0.71 CYP1A2 (0.61) GHSRNCOA1NCOA3CYP3A4HEXA

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-20050171131-A1 Diaminopyrimidine derivatives as growth hormone secrectgogue receptor (GHS-R) antagonists KOSOGOF CHRISTI (US) 2005-08-04 — — US disclosed
US-20050070712-A1 Pyrimidine derivatives as ghrelin receptor modulators ABBOTT LABORATORIES 2005-03-31 — — 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 (2 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-20050171131-A1 Diaminopyrimidine derivatives as growth hormone secrectgogue receptor (GHS-R) antagonists GHSR, GIPR, GPR119 GHSR 1/4885NCOA1 1701/4885NCOA3 2738/4885
US-20050070712-A1 Pyrimidine derivatives as ghrelin receptor modulators GPR119, GIPR, GCGR GHSR 5/4885NCOA1 1032/4885NCOA3 1477/4885

“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.

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