SCHEMBL15813344

SCHEMBL15813344

Cn1nc(-c2ncon2)cc1N

nearest known ligand 0.36

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ KMO O15229 1/20 0.36
▸ ADORA2B P29275 2/20 0.33
▸ CNR2 P34972 1/20 0.31
▸ ADORA1 P30542 1/20 0.31
▸ BACE1 P56817 2/20 0.30
▸ BACE2 Q9Y5Z0 2/20 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
SCHEMBL22952454 0.78 KMO (0.33) KMOCNR2
SCHEMBL21233108 0.74 KMO (0.31) KMO
SCHEMBL22952456 0.67 — —
SCHEMBL266468 0.65 — —
SCHEMBL21597748 0.64 BRD4 (0.36) ADORA2BADORA1BACE1BACE2
SCHEMBL25407739 0.64 KDM4E (0.34) ADORA2BADORA1
SCHEMBL15813458 0.64 TSHR (0.39) BACE1BACE2
Hydrochloric Acid SCHEMBL2378758 0.63 — —
SCHEMBL19992372 0.62 — —
SCHEMBL25407489 0.62 RET (0.44) ADORA2BADORA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2935284-A1 HETEROCYCLIC NUCLEAR HORMONE RECEPTOR MODULATORS AbbVie Inc. (US) 2015-10-28 — — EP disclosed
US-9150592-B2 Heterocyclic nuclear hormone receptor modulators ABBVIE INC. (US) 2015-10-06 — — US disclosed
US-9150592-B2 Heterocyclic nuclear hormone receptor modulators ABBVIE INC. (US) 2015-10-06 — — US disclosed
US-9150592-B2 Heterocyclic nuclear hormone receptor modulators ABBVIE INC. (US) 2015-10-06 — — US disclosed
WO-2014094357-A1 HETEROCYCLIC NUCLEAR HORMONE RECEPTOR MODULATORS ABBVIE INC. (US) 2014-06-26 — — WO disclosed
WO-2014094357-A1 HETEROCYCLIC NUCLEAR HORMONE RECEPTOR MODULATORS ABBVIE INC. (US) 2014-06-26 — — WO disclosed
US-20140179676-A1 HETEROCYCLIC NUCLEAR HORMONE RECEPTOR MODULATORS ABBVIE INC. (US) 2014-06-26 — — US disclosed
US-20140179676-A1 HETEROCYCLIC NUCLEAR HORMONE RECEPTOR MODULATORS ABBVIE INC. (US) 2014-06-26 — — US disclosed
US-20140179676-A1 HETEROCYCLIC NUCLEAR HORMONE RECEPTOR MODULATORS ABBVIE INC. (US) 2014-06-26 — — 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-20140179676-A1 HETEROCYCLIC NUCLEAR HORMONE RECEPTOR MODULATORS NR5A2, NR5A1, GPER1 KMO 1920/4885ADORA2B 522/4885CNR2 203/4885

“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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