SCHEMBL6713710

SCHEMBL6713710

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

nearest known ligand 0.71

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 15/20 0.71
ADORA2A P29274 1/20 0.59
ADORA1 P30542 2/20 0.59
ADORA2B P29275 1/20 0.49
GAA P10253 2/20 0.47
MAPT P10636 2/20 0.47
HCRTR1 O43613 1/20 0.47
KMT2A Q03164 1/20 0.47
POLB P06746 1/20 0.47
TP53 P04637 1/20 0.46
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) ADORA3ADORA2AADORA1GAAMAPT
SCHEMBL6713834 0.92 ADORA3 (0.70) ADORA3ADORA2AADORA1GAAMAPT
SCHEMBL6716618 0.90 ADORA3 (0.71) ADORA3ADORA2AADORA1ADORA2BMAPT
SCHEMBL6716784 0.90 ADORA3 (0.71) ADORA3ADORA2AADORA1GAAMAPT
SCHEMBL6715423 0.89 ADORA3 (0.74) ADORA3ADORA2AADORA1ADORA2B
SCHEMBL6716928 0.83 ADORA3 (1.00) ADORA3ADORA2AADORA1ADORA2B
SCHEMBL6716700 0.82 ADORA3 (0.93) ADORA3ADORA2AADORA1ADORA2B
SCHEMBL6715652 0.81 ADORA3 (0.72) ADORA3ADORA2AADORA1
SCHEMBL6717274 0.80 ADORA3 (0.71) ADORA3ADORA2AADORA1ADORA2B
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 4 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
US-20040127433-A1 excellent antibacterial activity especially against a typical acid-fast mycobacteria including multiple drug-resistant bacteria HOKURIKU SEIYAKU CO., LTD. (JP) 2004-07-01 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
EP-1323726-A1 ERYTHROMYCIN DERIVATIVES AND MEDICINES CONTAINING THE SAME HOKURIKU SEIYAKU CO., LTD. (JP) 2003-07-02 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 (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-20040127433-A1 excellent antibacterial activity especially against a typical acid-fast mycobacteria including multiple drug-resistant bacteria MAPRE1, MAPRE2, MRPS27 ADORA3 4213/4885ADORA2A 4309/4885ADORA1 4158/4885
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.