SCHEMBL1989647

SCHEMBL1989647

O=C(O)c1cccnc1-n1cc(F)c(-c2ccccc2)n1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MYC P01106 1/20 0.49
NAPRT Q6XQN6 2/20 0.45
L3MBTL1 Q9Y468 4/20 0.45
KDM4E B2RXH2 3/20 0.45
ALDH1A1 P00352 3/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
HPGD P15428 1/20 0.45
HSD17B10 Q99714 1/20 0.45
TDP1 Q9NUW8 1/20 0.44
KMT2A Q03164 2/20 0.41
MAPT P10636 2/20 0.40
CYP3A4 P08684 1/20 0.40
ALOX15 P16050 1/20 0.40
TSHR P16473 1/20 0.40
BLM P54132 1/20 0.40
AGER Q15109 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
DHODH Q02127 3/20 0.39
ATM Q13315 1/20 0.39
LMNA P02545 1/20 0.39

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
SCHEMBL1994315 0.84 MYC (0.56) MYCNAPRTL3MBTL1KDM4EALDH1A1
SCHEMBL1988242 0.84 MYC (0.49) MYCNAPRTL3MBTL1KDM4EALDH1A1
SCHEMBL1989020 0.84 MAPK1 (0.53) L3MBTL1KDM4EALDH1A1SMN1; SMN2HPGD
SCHEMBL1992956 0.77 CAPN1 (0.50) CAPN1
SCHEMBL9900917 0.74 CAPN1 (0.57) MYCNAPRTL3MBTL1KDM4EALDH1A1
SCHEMBL541283 0.74 CAPN1 (0.58) MYCNAPRTL3MBTL1KDM4EALDH1A1
SCHEMBL540979 0.74 CAPN1 (0.58) MYCCAPN1
SCHEMBL912675 0.71 KDM4E (0.77) MYCNAPRTL3MBTL1KDM4EALDH1A1
SCHEMBL31586013 0.71 KDM4E (0.77) MYCNAPRTL3MBTL1KDM4EALDH1A1
SCHEMBL1989132 0.70 CAPN1 (0.59) MYCNAPRTDHODHCAPN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150252017-A1 CARBOXAMIDE COMPOUNDS AND THEIR USE AS CALPAIN INHIBITORS V AbbVie Deutschland GmbH & Co. KG (DE) 2015-09-10 US disclosed
US-9051304-B2 Carboxamide compounds and their use as calpain inhibitors V AbbVie Deutschland GmbH & Co. KG (DE) 2015-06-09 US disclosed
EP-2516393-B1 CARBOXAMIDE COMPOUNDS AND THEIR USE AS CALPAIN INHIBITORS ABBVIE DEUTSCHLAND (DE) 2014-10-29 EP disclosed
US-20140179702-A1 CARBOXAMIDE COMPOUNDS AND THEIR USE AS CALPAIN INHIBITORS IV AbbVie Deutschland GmbH & Co. KG (DE) 2014-06-26 US disclosed
US-8598211-B2 Carboxamide compounds and their use as calpain inhibitors IV ABBVIE INC. (US) 2013-12-03 US disclosed
EP-2516393-A1 CARBOXAMIDE COMPOUNDS AND THEIR USE AS CALPAIN INHIBITORS Abbott GmbH & Co. KG (DE) 2012-10-31 EP disclosed
EP-2516415-A1 CARBOXAMIDE COMPOUNDS AND THEIR USE AS CALPAIN INHIBITORS IV Abbott GmbH & Co. KG (DE) 2012-10-31 EP disclosed
WO-2011076812-A1 CARBOXAMIDE COMPOUNDS AND THEIR USE AS CALPAIN INHIBITORS IV ABBOTT GMBH & CO. KG (DE) 2011-06-30 WO disclosed
WO-2011076811-A1 CARBOXAMIDE COMPOUNDS AND THEIR USE AS CALPAIN INHIBITORS ABBOTT GMBH & CO. KG (DE) 2011-06-30 WO disclosed
US-20110152325-A1 CARBOXAMIDE COMPOUNDS AND THEIR USE AS CALPAIN INHIBITORS IV ABBOTT GMBH & CO. KG (DE) 2011-06-23 US disclosed
US-20110152265-A1 CARBOXAMIDE COMPOUNDS AND THEIR USE AS CALPAIN INHIBITORS V ABBOTT GMBH & CO. KG (DE) 2011-06-23 US 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 (4 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-20150252017-A1 CARBOXAMIDE COMPOUNDS AND THEIR USE AS CALPAIN INHIBITORS V CAPN2, CAPN1, CAPNS1 MYC 1503/4885NAPRT 3604/4885L3MBTL1 4081/4885
US-20140179702-A1 CARBOXAMIDE COMPOUNDS AND THEIR USE AS CALPAIN INHIBITORS IV CAPN2, CAPNS1, CAPN1 MYC 2611/4885NAPRT 1530/4885L3MBTL1 3392/4885
US-20110152325-A1 CARBOXAMIDE COMPOUNDS AND THEIR USE AS CALPAIN INHIBITORS IV CAPN2, CAPN1, CAPN9 MYC 1967/4885NAPRT 3817/4885L3MBTL1 4035/4885
US-20110152265-A1 CARBOXAMIDE COMPOUNDS AND THEIR USE AS CALPAIN INHIBITORS V CAPN2, CAPN1, CAPNS1 MYC 1503/4885NAPRT 3604/4885L3MBTL1 4081/4885

“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.