SCHEMBL6623286

SCHEMBL6623286

Nc1nc(N2CCN(CCO)CC2)cc2nc(-c3ccco3)nn12

nearest known ligand 0.62

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 8/20 0.60
ADORA1 P30542 1/20 0.60

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
Hydrochloric Acid SCHEMBL6623919 0.93 ADORA2A (0.58) ADORA2AADORA1
SCHEMBL6625218 0.91 ADORA2A (0.57) ADORA2AADORA1
SCHEMBL6625998 0.90 ADORA2A (0.60) ADORA2AADORA1
SCHEMBL6626854 0.90 ADORA2A (0.60) ADORA2AADORA1
SCHEMBL5545893 0.88 ADORA2A (0.59) ADORA2AADORA1
SCHEMBL6625949 0.88 ADORA2A (0.58) ADORA2AADORA1
SCHEMBL6626072 0.88 ADORA2A (0.58) ADORA2AADORA1
SCHEMBL6629912 0.88 ADORA2A (0.62) ADORA2AADORA1
SCHEMBL2927933 0.88 ADORA2A (0.56) ADORA2AADORA1
SCHEMBL6625297 0.87 ADORA2A (0.58) ADORA2AADORA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2564871-B1 Therapeutic Agent for Migraine KYOWA HAKKO KIRIN CO LTD (JP) 2017-11-15 EP disclosed
US-9254283-B2 Therapeutic agent for migraine KYOWA HAKKO KIRIN CO., LTD. (JP) 2016-02-09 US disclosed
US-20110183992-A1 THERAPEUTIC AGENT FOR MIGRAINE KYOWA HAKKO KIRIN CO., LTD. (JP) 2011-07-28 US disclosed
US-20110183992-A1 THERAPEUTIC AGENT FOR MIGRAINE KYOWA HAKKO KIRIN CO., LTD. (JP) 2011-07-28 US disclosed
EP-0976753-B1 [1,2,4]TRIAZOLO[1,5-c]PYRIMIDINE DERIVATIVES KYOWA HAKKO KOGYO KK (JP) 2004-01-02 EP disclosed
US-6222035-B1 AS ADENOSINE A.SUB.2A RECEPTOR ANTAGONISTS AND ARE USEFUL FOR THERAPY OR OR PROPHYLAXIS OF VARIOUS DISEASES INDUCED BY HYPERACTIVITY OF ADENOSINE A.SUB.2A RECEPTORS SUCH AS PARKINSON'S DISEASE, SENILE DEMENTIA OR DEPRESSION KYOWA HAKKO KOGYO CO., LTD. (JP) 2001-04-24 US disclosed
EP-0976753-A1 [1,2,4]TRIAZOLO[1,5-c]PYRIMIDINE DERIVATIVES KYOWA HAKKO KOGYO CO., LTD. (JP) 2000-02-02 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 (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-20110183992-A1 THERAPEUTIC AGENT FOR MIGRAINE ADORA2A, ADORA1, ADORA3 ADORA2A 1/4885ADORA1 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.