SCHEMBL6339577

SCHEMBL6339577

Nc1nc(N)c(-c2ccc([N+](=O)[O-])cc2)c(CCC(=O)NCc2ccccc2)n1

nearest known ligand 0.58

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ GHSR Q92847 10/20 0.58
▸ MEN1 O00255 1/20 0.50
▸ KMT2A Q03164 1/20 0.50
▸ CYP2C9 P11712 1/20 0.47
▸ CYP2C19 P33261 1/20 0.47
▸ MMP2 P08253 1/20 0.46

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
SCHEMBL6344289 0.86 GHSR (0.59) GHSRMEN1KMT2A
SCHEMBL6342306 0.83 GHSR (0.54) GHSR
Hydrochloric Acid SCHEMBL6353018 0.82 GHSR (0.53) GHSR
SCHEMBL3638616 0.80 GHSR (0.75) GHSR
SCHEMBL6344285 0.79 GHSR (0.55) GHSR
SCHEMBL6361096 0.76 GHSR (0.64) GHSRMEN1KMT2A
SCHEMBL6243748 0.76 GHSR (0.81) GHSR
SCHEMBL3632604 0.74 GHSR (1.00) GHSR
SCHEMBL3634649 0.74 GHSR (1.00) GHSR
SCHEMBL6964846 0.72 TRPV1 (0.68) MEN1KMT2ACYP2C9CYP2C19

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 1/4885MEN1 1738/4885KMT2A 950/4885
US-20050070712-A1 Pyrimidine derivatives as ghrelin receptor modulators GPR119, GIPR, GCGR GHSR 5/4885MEN1 3951/4885KMT2A 2596/4885

“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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