SCHEMBL280486

SCHEMBL280486

Cc1nc(I)cc(N)c1N=O

nearest known ligand 0.32

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.32
KMT2A Q03164 1/20 0.32
CCNA2 P20248 1/20 0.31
CDK2 P24941 1/20 0.31
CCNA1 P78396 1/20 0.31
MAPT P10636 1/20 0.30

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
SCHEMBL280576 0.73 NOS3 (0.34) KMT2AMAPT
SCHEMBL13996911 0.66 CRHBP (0.52) KMT2AMAPT
SCHEMBL19203178 0.64 ALDH1A1 (0.40) KMT2AMAPT
SCHEMBL24158149 0.64 ALDH1A1 (0.34) MAPT
SCHEMBL19216519 0.64 MAPT (0.41) HTTKMT2AMAPT
SCHEMBL21164945 0.63 RXFP1 (0.37) HTTKMT2AMAPT
Hydrazine SCHEMBL5026845 0.63 CDK2 (0.33) HTTKMT2ACCNA2CDK2CCNA1
Hydrochloric Acid SCHEMBL18317014 0.63 ALDH1A1 (0.42) KMT2ACDK2MAPT
SCHEMBL14490774 0.63 CDK2 (0.42) HTTKMT2ACCNA2CDK2CCNA1
SCHEMBL11192342 0.63 CDK2 (0.41) KMT2ACCNA2CDK2CCNA1MAPT

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-8133891-B2 Tricyclic anilide spirolactam CGRP receptor antagonists Merck, Sharp & Dohme Corp. (US) 2012-03-13 US disclosed
US-20100160334-A1 TRICYCLIC ANILIDE SPIROLACTAM CGRP RECEPTOR ANTAGONISTS MERCK SHARP & DOHME LLC 2010-06-24 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-20100160334-A1 TRICYCLIC ANILIDE SPIROLACTAM CGRP RECEPTOR ANTAGONISTS BDKRB1, CALCRL, BDKRB2 HTT 2214/4885KMT2A 2891/4885CCNA2 807/4885

“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.