SCHEMBL2797699

SCHEMBL2797699

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

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 1/20 0.55
NPC1 O15118 2/20 0.53
RAB9A P51151 2/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
KDM4E B2RXH2 4/20 0.51
AR P10275 1/20 0.51
CAPN1 P07384 2/20 0.51
EIF4E P06730 7/20 0.50
TLR7 Q9NYK1 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
MEN1 O00255 1/20 0.48
ALDH1A1 P00352 1/20 0.48
MAPT P10636 1/20 0.48
HPGD P15428 1/20 0.48
STAT1 P42224 1/20 0.48
GFER P55789 1/20 0.48
KMT2A Q03164 1/20 0.48
LMNA P02545 1/20 0.47
NAPRT Q6XQN6 1/20 0.47

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 0.90 CYP19A1 (0.52) CYP19A1NPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL2799948 0.90 RAB9A (0.66) CYP19A1NPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL2800810 0.86 CYP19A1 (0.51) CYP19A1NPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL3712467 0.79 KDM4E (0.67) SMN1; SMN2KDM4ETDP1ALDH1A1MAPT
SCHEMBL2802814 0.77 CAPN1 (0.67) CYP19A1KDM4ECAPN1TLR7MEN1
SCHEMBL2800379 0.75 CAPN1 (0.88) CAPN1
SCHEMBL8304580 0.75 KDM4E (0.53) NPC1RAB9AKDM4ETDP1MEN1
SCHEMBL1169786 0.74 KDM4E (0.78) CYP19A1NPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL2801045 0.74 KDM4E (0.51) CYP19A1NPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL23742595 0.73 KDM4E (0.66) CYP19A1NPC1RAB9ASMN1; SMN2KDM4E

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 6 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
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
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 3334/4885NPC1 4325/4885RAB9A 3300/4885
US-20100216844-A1 Carboxamide compounds and their use as calpain inhibitors CAMK4, CAMK2A, CAMK2B CYP19A1 3326/4885NPC1 4352/4885RAB9A 3299/4885

“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.