SCHEMBL2798614

SCHEMBL2798614

O=C(O)c1cccnc1-c1nc2ccccc2[nH]1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.65
RAB9A P51151 6/20 0.65
RUNX1 Q01196 1/20 0.62
TDP1 Q9NUW8 1/20 0.56
HPGD P15428 4/20 0.52
ALDH1A1 P00352 4/20 0.52
KMT2A Q03164 1/20 0.52
NPC1 O15118 5/20 0.51
SMN1; SMN2 Q16637 4/20 0.51
PKM P14618 2/20 0.51
METAP2 P50579 2/20 0.51
LMNA P02545 1/20 0.51
MTOR P42345 1/20 0.51
METAP1 P53582 1/20 0.51
NPSR1 Q6W5P4 3/20 0.50
ABCB11 O95342 1/20 0.50
TP53 P04637 1/20 0.50
HSD17B10 Q99714 1/20 0.50
PDE10A Q9Y233 1/20 0.50
CDK1 P06493 1/20 0.50

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
SCHEMBL27312758 0.84 KDM4E (0.57) KDM4ERAB9ARUNX1TDP1HPGD
SCHEMBL31311065 0.79 KDM4E (1.00) KDM4ERAB9AHPGDALDH1A1KMT2A
SCHEMBL3164011 0.79 KDM4E (1.00) KDM4ERAB9AHPGDALDH1A1KMT2A
SCHEMBL28388009 0.78 KDM4E (0.97) KDM4ERAB9AHPGDALDH1A1KMT2A
SCHEMBL27932271 0.78 KDM4E (0.97) KDM4ERAB9AHPGDALDH1A1KMT2A
SCHEMBL17525960 0.77 RUNX1 (0.84) KDM4ERAB9ARUNX1TDP1PDE10A
SCHEMBL6530312 0.77 CDK1 (0.69) KDM4ERAB9AHPGDALDH1A1NPC1
SCHEMBL15661264 0.77 KDM4E (0.61) KDM4ERAB9AHPGDALDH1A1KMT2A
SCHEMBL14364615 0.76 CDK1 (0.63) KDM4ERAB9ATDP1HPGDALDH1A1
SCHEMBL11471783 0.76 NPC1 (0.61) KDM4ERAB9AHPGDALDH1A1KMT2A

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
CN-111592508-A Therapeutic agents based on lanthionine synthase C-like 2 朗多生物制药股份有限公司 2020-08-28 CN disclosed
CN-107108573-B Therapeutic agents based on lanthionine synthase C-like 2 朗多生物制药股份有限公司 2020-06-16 CN disclosed
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 KDM4E 624/4885RAB9A 3300/4885RUNX1 3773/4885
US-20100216844-A1 Carboxamide compounds and their use as calpain inhibitors CAMK4, CAMK2A, CAMK2B KDM4E 577/4885RAB9A 3299/4885RUNX1 3748/4885

“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.