SCHEMBL2801045

SCHEMBL2801045

CCOC(=O)c1cccnc1-c1nc(-c2ccc(F)cc2)cs1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.51
HPGD P15428 4/20 0.51
ALDH1A1 P00352 3/20 0.51
CYP1A2 P05177 1/20 0.51
CYP2C9 P11712 1/20 0.51
CYP2C19 P33261 1/20 0.51
CAPN1 P07384 1/20 0.47
MAPT P10636 3/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
LMNA P02545 2/20 0.47
MAPK1 P28482 1/20 0.47
HTT P42858 1/20 0.47
SREBF2 Q12772 1/20 0.46
CYP19A1 P11511 1/20 0.46
TRPM8 Q7Z2W7 1/20 0.45
NPC1 O15118 4/20 0.44
RAB9A P51151 3/20 0.44
HSD17B10 Q99714 1/20 0.44
POLB P06746 1/20 0.44
AR P10275 1/20 0.44

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
SCHEMBL2802417 0.83 CYP19A1 (0.52) KDM4EHPGDALDH1A1CAPN1MAPT
SCHEMBL2800810 0.79 CYP19A1 (0.51) KDM4ECAPN1MAPTSMN1; SMN2LMNA
SCHEMBL21689070 0.76 ALDH1A1 (0.52) KDM4EHPGDALDH1A1CAPN1MAPT
SCHEMBL10222539 0.75 ALDH1A1 (0.58) KDM4EHPGDALDH1A1CYP1A2CYP2C9
SCHEMBL21663912 0.75 TSHR (0.44) ALDH1A1CAPN1MAPTSMN1; SMN2LMNA
SCHEMBL23742629 0.75 KDM4E (0.52) KDM4EHPGDALDH1A1CYP1A2CYP2C9
SCHEMBL2797699 0.74 CYP19A1 (0.55) KDM4EHPGDALDH1A1CAPN1MAPT
SCHEMBL14992723 0.73 CYP19A1 (0.60) KDM4EALDH1A1CAPN1MAPTSMN1; SMN2
SCHEMBL15661074 0.73 ALDH1A1 (0.49) KDM4EHPGDALDH1A1MAPTSMN1; SMN2
SCHEMBL20313136 0.72 TSHR (0.53) KDM4EHPGDALDH1A1CYP1A2CYP2C9

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 KDM4E 624/4885HPGD 3070/4885ALDH1A1 4565/4885
US-20100216844-A1 Carboxamide compounds and their use as calpain inhibitors CAMK4, CAMK2A, CAMK2B KDM4E 577/4885HPGD 3120/4885ALDH1A1 4543/4885

“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.