SCHEMBL1449569

SCHEMBL1449569

Cc1nc(-c2sc(NC(=O)C3CC3)nc2-c2ccccc2)no1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 17/20 1.00
ADORA1 P30542 15/20 1.00
ACHE P22303 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
SCHEMBL1449790 0.95 ADORA2A (0.90) ADORA2AADORA1
SCHEMBL12651831 0.88 ADORA2A (0.79) ADORA2AADORA1
Cyclopropane SCHEMBL15484598 0.88 ADORA2A (0.81) ADORA2AADORA1
Cyclohexane SCHEMBL15484591 0.88 ADORA2A (0.81) ADORA2AADORA1
SCHEMBL1449872 0.86 ADORA2A (1.00) ADORA2AADORA1
SCHEMBL1449975 0.86 ADORA2A (0.76) ADORA2AADORA1ACHE
SCHEMBL1450138 0.86 ADORA2A (0.80) ADORA2AADORA1
SCHEMBL1449841 0.85 ADORA2A (1.00) ADORA2AADORA1
SCHEMBL1449474 0.84 ADORA2A (0.72) ADORA2AADORA1
SCHEMBL1449487 0.83 ADORA2A (0.78) 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 19 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7910613-B2 2-acylaminothiazole derivatives H. LUNDBECK A/S (DK) 2011-03-22 US claimed
EP-2564871-B1 Therapeutic Agent for Migraine KYOWA HAKKO KIRIN CO LTD (JP) 2017-11-15 EP disclosed
EP-2308509-B1 INHIBITOR OF ANALGESIC TOLERANCE KYOWA HAKKO KIRIN CO LTD (JP) 2017-07-05 EP disclosed
US-9254283-B2 Therapeutic agent for migraine KYOWA HAKKO KIRIN CO., LTD. (JP) 2016-02-09 US disclosed
US-8865731-B2 Inhibitor of analgesic tolerance KYOWA HAKKO KIRIN CO., LTD. (JP) 2014-10-21 US disclosed
US-8865731-B2 Inhibitor of analgesic tolerance KYOWA HAKKO KIRIN CO., LTD. (JP) 2014-10-21 US disclosed
EP-1794157-B1 2-ACYLAMINOTHIAZOLE DERIVATIVES LUNDBECK & CO AS H (DK) 2014-02-26 EP disclosed
EP-2564871-A1 Therapeutic Agent for Migraine Kyowa Hakko Kirin Co., Ltd. (JP) 2013-03-06 EP 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-2322223-A1 THERAPEUTIC AGENT FOR MIGRAINE Kyowa Hakko Kirin Co., Ltd. (JP) 2011-05-18 EP disclosed
US-20110105465-A1 INHIBITOR OF ANALGESIC TOLERANCE KYOWA HAKKO KIRIN CO., LTD. (JP) 2011-05-05 US disclosed
US-20110105465-A1 INHIBITOR OF ANALGESIC TOLERANCE KYOWA HAKKO KIRIN CO., LTD. (JP) 2011-05-05 US disclosed
US-7910613-B2 2-acylaminothiazole derivatives H. LUNDBECK A/S (DK) 2011-03-22 US disclosed
US-7910613-B2 2-acylaminothiazole derivatives H. LUNDBECK A/S (DK) 2011-03-22 US disclosed
US-7910613-B2 2-acylaminothiazole derivatives H. LUNDBECK A/S (DK) 2011-03-22 US disclosed
US-20090137642-A1 2-Acylaminothiazole Derivatives H. LUNDBECK A/S (DK) 2009-05-28 US disclosed
US-20090137642-A1 2-Acylaminothiazole Derivatives H. LUNDBECK A/S (DK) 2009-05-28 US disclosed
WO-2006032273-A1 2-ACYLAMINOTHIAZOLE DERIVATIVES H. LUNDBECK A/S (DK) 2006-03-30 WO 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 (3 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-20090137642-A1 2-Acylaminothiazole Derivatives ADORA2A, HTR2C, ADORA2B ADORA2A 1/4885ADORA1 7/4885ACHE 1238/4885
US-20110183992-A1 THERAPEUTIC AGENT FOR MIGRAINE ADORA2A, ADORA1, ADORA3 ADORA2A 1/4885ADORA1 2/4885ACHE 314/4885
US-20110105465-A1 INHIBITOR OF ANALGESIC TOLERANCE ADORA2A, OPRK1, OPRL1 ADORA2A 1/4885ADORA1 6/4885ACHE 59/4885

“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.