SCHEMBL2801546

SCHEMBL2801546

CCOC(=O)c1cccnc1C(N)=S

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BRD4 O60885 1/20 0.56
▸ HTT P42858 1/20 0.54
▸ TSHR P16473 1/20 0.54
▸ HSD17B10 Q99714 4/20 0.51
▸ ALDH1A1 P00352 4/20 0.51
▸ L3MBTL1 Q9Y468 2/20 0.47
▸ HPGD P15428 2/20 0.46
▸ NPC1 O15118 2/20 0.46
▸ RAB9A P51151 2/20 0.46
▸ TP53 P04637 1/20 0.46
▸ PPIA P62937 1/20 0.46
▸ KDM4E B2RXH2 2/20 0.44
▸ MAPK1 P28482 2/20 0.44
▸ CASP1 P29466 1/20 0.44
▸ CYP1A2 P05177 1/20 0.44
▸ CYP3A4 P08684 1/20 0.44
▸ CYP2D6 P10635 1/20 0.44
▸ MAPT P10636 1/20 0.44
▸ CYP2C19 P33261 1/20 0.44
▸ ELANE P08246 2/20 0.43

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
SCHEMBL29870373 0.87 BRD4 (0.61) BRD4HTTTSHRHSD17B10ALDH1A1
SCHEMBL1737254 0.87 BRD4 (0.61) BRD4HTTTSHRHSD17B10ALDH1A1
SCHEMBL14840493 0.84 TSHR (0.58) BRD4HTTTSHRHSD17B10ALDH1A1
SCHEMBL7356194 0.84 ALDH1A1 (0.61) BRD4HTTTSHRHSD17B10ALDH1A1
SCHEMBL14840457 0.82 TSHR (0.54) BRD4HTTTSHRHSD17B10ALDH1A1
SCHEMBL21639387 0.81 TSHR (0.53) BRD4HTTTSHRHSD17B10ALDH1A1
SCHEMBL8616148 0.81 TSHR (0.53) BRD4HTTTSHRHSD17B10ALDH1A1
SCHEMBL844745 0.80 TSHR (0.59) BRD4HTTTSHRHSD17B10ALDH1A1
SCHEMBL181049 0.80 ALDH1A1 (0.60) BRD4HTTTSHRHSD17B10ALDH1A1
SCHEMBL109206 0.79 TSHR (0.63) BRD4HTTTSHRHSD17B10ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9567325-B2 Carboxamide compounds and their use as calpain inhibitors AbbVie Deutschland GmbH & Co. KG (DE) 2017-02-14 — — US disclosed
CN-105968090-A Carboxamide compounds and their use as calpain inhibitors ABBVIE 公司 2016-09-28 — — CN disclosed
US-20150045394-A1 CARBOXAMIDE COMPOUNDS AND THEIR USE AS CALPAIN INHIBITORS AbbVie Deutschland GmbH & Co. KG (DE) 2015-02-12 — — US disclosed
US-8906941-B2 Carboxamide compounds and their use as calpain inhibitors ABBVIE INC. (US) 2014-12-09 — — US disclosed
CN-102333766-A Carboxamide compounds and their use as calpain inhibitors ABBOTT GMBH & CO KG 2012-01-25 — — CN disclosed
EP-2398783-A1 CARBOXAMIDE COMPOUNDS AND THEIR USE AS CALPAIN INHIBITORS Abbott GmbH & Co. KG (DE) 2011-12-28 — — EP disclosed
US-20100216844-A1 Carboxamide compounds and their use as calpain inhibitors ABBVIE DEUTSCHLAND GMBH & CO KG (DE) 2010-08-26 — — US disclosed
WO-2010094755-A1 CARBOXAMIDE COMPOUNDS AND THEIR USE AS CALPAIN INHIBITORS ABBOTT GMBH & CO. KG (DE) 2010-08-26 — — 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 (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-20150045394-A1 CARBOXAMIDE COMPOUNDS AND THEIR USE AS CALPAIN INHIBITORS CAMK4, CAMK2A, CAMK2B BRD4 527/4885HTT 1485/4885TSHR 3759/4885
US-20100216844-A1 Carboxamide compounds and their use as calpain inhibitors CAMK4, CAMK2A, CAMK2B BRD4 498/4885HTT 1447/4885TSHR 3752/4885

“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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