SCHEMBL280576

SCHEMBL280576

Cc1nc(I)cc(N)c1N

nearest known ligand 0.34

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 4/20 0.34
NOS2 P35228 4/20 0.34
NOS1 P29475 3/20 0.34
ALDH1A1 P00352 4/20 0.33
KDM4E B2RXH2 2/20 0.33
LMNA P02545 1/20 0.33
GAA P10253 1/20 0.33
MAPT P10636 1/20 0.33
TERT O14746 1/20 0.32
TSHR P16473 1/20 0.32
POLB P06746 1/20 0.31
RAD52 P43351 1/20 0.31
KMT2A Q03164 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
L3MBTL1 Q9Y468 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
SCHEMBL19203178 0.81 ALDH1A1 (0.40) NOS3NOS2NOS1ALDH1A1KDM4E
SCHEMBL9511107 0.75 NOS2 (0.42) NOS3NOS2NOS1TERT
SCHEMBL9383607 0.75 NCF1 (0.43) NOS3NOS2NOS1ALDH1A1KDM4E
SCHEMBL280486 0.73 HTT (0.32) MAPTKMT2A
SCHEMBL27385578 0.71 TDP1 (0.39) ALDH1A1KDM4ELMNAGAATERT
SCHEMBL9511066 0.71 TERT (0.32) NOS3NOS2NOS1ALDH1A1TERT
SCHEMBL8259398 0.68
SCHEMBL2528347 0.68
SCHEMBL29839686 0.68 NNMT (0.39) ALDH1A1KDM4ELMNAPOLBKMT2A
SCHEMBL95213 0.68 NNMT (0.39) ALDH1A1KDM4ELMNAPOLBKMT2A

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 NOS3 803/4885NOS2 866/4885NOS1 850/4885

“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.