SCHEMBL2800596

SCHEMBL2800596

NC(=O)c1c(C(Cc2ccccc2)C(O)C(N)=O)ccnc1-c1nc2ccccc2[nH]1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 2/20 0.39
CHEK2 O96017 2/20 0.39
SYK P43405 1/20 0.39
LRRK2 Q5S007 1/20 0.39
TSSK3 Q96PN8 1/20 0.39
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
PIM1 P11309 1/20 0.37
PIM3 Q86V86 1/20 0.37
AURKB Q96GD4 1/20 0.37
MMP2 P08253 3/20 0.36
MMP13 P45452 2/20 0.36
MMP9 P14780 2/20 0.36
MMP8 P22894 2/20 0.36
KDM4E B2RXH2 2/20 0.36
RAB9A P51151 1/20 0.36

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
SCHEMBL2800602 0.78 SMN1; SMN2 (0.41) CHEK1CHEK2SYKLRRK2TSSK3
SCHEMBL2800282 0.74 PYGL (0.47) CHEK1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL28903885 0.68 CHEK2 (0.53) CHEK1CHEK2SYKLRRK2TSSK3
SCHEMBL2798791 0.67 CAPN1 (0.61)
SCHEMBL15550309 0.66 CHEK1 (0.46) CHEK1SMN1; SMN2KDM4ERAB9AATR
SCHEMBL8521596 0.65 EPHX1 (0.45) CYP1A2ALDH1A1
SCHEMBL2798614 0.63 KDM4E (0.65) SMN1; SMN2KDM4ERAB9AATRALDH1A1
SCHEMBL1900530 0.61 CDK1 (0.65) SMN1; SMN2KDM4ERAB9AATRALDH1A1
SCHEMBL15552372 0.61 HPSE (0.45) CHEK1CHEK2SMN1; SMN2KDM4ERAB9A
SCHEMBL8522489 0.60 ALPI (0.45) CYP1A2

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 4 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
US-20100216844-A1 Carboxamide compounds and their use as calpain inhibitors ABBVIE DEUTSCHLAND GMBH & CO KG (DE) 2010-08-26 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 (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 CHEK1 2491/4885CHEK2 2818/4885SYK 3082/4885
US-20100216844-A1 Carboxamide compounds and their use as calpain inhibitors CAMK4, CAMK2A, CAMK2B CHEK1 2497/4885CHEK2 2851/4885SYK 3049/4885

“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.