SCHEMBL6716784

SCHEMBL6716784

COC(=O)CCCc1nc2ccccc2c2nc(-c3ccc(Br)cc3)nn12

nearest known ligand 0.71

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 17/20 0.71
ADORA2A P29274 1/20 0.59
ADORA1 P30542 1/20 0.59
TP53 P04637 2/20 0.50
LMNA P02545 1/20 0.50
GAA P10253 2/20 0.47
HCRTR1 O43613 1/20 0.47
MAPT P10636 1/20 0.47
KMT2A Q03164 1/20 0.47
ALPL P05186 1/20 0.46
SMN1; SMN2 Q16637 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
SCHEMBL6723383 0.93 ADORA3 (0.68) ADORA3ADORA2AADORA1TP53GAA
SCHEMBL6713834 0.92 ADORA3 (0.70) ADORA3ADORA2AADORA1TP53GAA
SCHEMBL6716618 0.90 ADORA3 (0.71) ADORA3ADORA2AADORA1MAPT
SCHEMBL6713710 0.90 ADORA3 (0.71) ADORA3ADORA2AADORA1TP53GAA
SCHEMBL6716231 0.89 ADORA3 (0.74) ADORA3ADORA2AADORA1TP53LMNA
SCHEMBL6716937 0.83 ADORA3 (1.00) ADORA3ADORA2AADORA1
SCHEMBL6714205 0.82 ADORA3 (0.93) ADORA3ADORA2AADORA1
SCHEMBL6715652 0.81 ADORA3 (0.72) ADORA3ADORA2AADORA1
SCHEMBL6717274 0.80 ADORA3 (0.71) ADORA3ADORA2AADORA1
SCHEMBL6720118 0.79 ADORA3 (0.52) ADORA3ADORA2AADORA1

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-20040142952-A1 Triazoloquinazoline and pyrazolotriazolopyrimidine derivatives, medicinal compositions, adenosine a3 receptor affinity agents, ocular tension lowering agents, preparations for preventing and treating glaucoma and method of lowering ocular tension OTSUKA PHARMACEUTICAL FACTORY, INC. (JP) 2004-07-22 US disclosed
EP-1364953-A1 TRIAZOLOQUINAZOLINE AND PYRAZOLOTRIAZOLOPYRIMIDINE DERIVATIVES, MEDICINAL COMPOSITIONS, ADENOSINE A3 RECEPTOR AFFINITY AGENTS, OCULAR TENSION LOWERING AGENTS, PREPARATIONS FOR PREVENTING AND TREATING GLAUCOMA AND METHOD OF LOWERING OCULAR TENSION OTSUKA PHARMACEUTICAL FACTORY, INC. (JP) 2003-11-26 EP 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-20040142952-A1 Triazoloquinazoline and pyrazolotriazolopyrimidine derivatives, medicinal compositions, adenosine a3 receptor affinity agents, ocular tension lowering agents, preparations for preventing and treating glaucoma and method of lowering ocular tension ADORA3, ADORA1, ADORA2A ADORA3 1/4885ADORA2A 3/4885ADORA1 2/4885

“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.