SCHEMBL2800810

SCHEMBL2800810

COC(=O)c1cccnc1-c1csc(-c2ccc(F)cc2)n1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 3/20 0.51
SLC6A4 P31645 1/20 0.49
SLC6A3 Q01959 1/20 0.49
CDK5 Q00535 1/20 0.48
CDK5R1 Q15078 1/20 0.48
TLR7 Q9NYK1 2/20 0.48
CAPN1 P07384 2/20 0.48
KDM4E B2RXH2 1/20 0.47
AR P10275 1/20 0.47
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
CASP3 P42574 1/20 0.45
SENP8 Q96LD8 1/20 0.45
SENP7 Q9BQF6 1/20 0.45
SENP6 Q9GZR1 1/20 0.45
ECE1 P42892 2/20 0.43
RXFP1 Q9HBX9 1/20 0.42
MEN1 O00255 1/20 0.41
POLB P06746 1/20 0.41

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
SCHEMBL2797699 0.86 CYP19A1 (0.55) CYP19A1TLR7CAPN1KDM4EAR
SCHEMBL5412400 0.81 SLC6A4 (0.59) SLC6A4SLC6A3KDM4ENPC1RAB9A
SCHEMBL2801045 0.79 KDM4E (0.51) CYP19A1CDK5CDK5R1CAPN1KDM4E
SCHEMBL5698744 0.77 KDM4E (0.59) CYP19A1KDM4EARNPC1RAB9A
SCHEMBL2802417 0.76 CYP19A1 (0.52) CYP19A1CAPN1KDM4EARNPC1
SCHEMBL2799948 0.75 RAB9A (0.66) CYP19A1TLR7CAPN1KDM4EAR
SCHEMBL2227471 0.73 TLR7 (0.56) TLR7KDM4ENPC1RAB9ASMN1; SMN2
SCHEMBL2802814 0.73 CAPN1 (0.67) CYP19A1TLR7CAPN1KDM4EMEN1
SCHEMBL812065 0.72 KDM4E (0.59) KDM4ERAB9AMEN1POLBKMT2A
SCHEMBL2800379 0.72 CAPN1 (0.88) CAPN1

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 CYP19A1 3334/4885SLC6A4 2007/4885SLC6A3 3186/4885
US-20100216844-A1 Carboxamide compounds and their use as calpain inhibitors CAMK4, CAMK2A, CAMK2B CYP19A1 3326/4885SLC6A4 1947/4885SLC6A3 3130/4885

“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.