SCHEMBL885409

SCHEMBL885409

NC(=O)c1cccnc1-n1cncn1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.44
CYP2A6 P11509 1/20 0.41
KDM4E B2RXH2 2/20 0.41
ALDH1A1 P00352 1/20 0.38
HPGD P15428 1/20 0.38
HSD17B10 Q99714 1/20 0.38
MAPK10 P53779 1/20 0.38
MYC P01106 1/20 0.38
SYK P43405 2/20 0.38
RAB9A P51151 2/20 0.38
MAPT P10636 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
NPC1 O15118 1/20 0.38
AHR P35869 1/20 0.38
CAPN1 P07384 1/20 0.37
HTT P42858 1/20 0.37
NAPRT Q6XQN6 1/20 0.37
MKNK1 Q9BUB5 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
SCHEMBL19979961 0.86 MYC (0.53) CYP2A6KDM4EALDH1A1MYCRAB9A
SCHEMBL19979962 0.81 CYP1A2 (0.46) KDM4EMAPK10
SCHEMBL945426 0.79 CYP2A6 (0.41) PARP1CYP2A6KDM4EALDH1A1MYC
SCHEMBL29551168 0.78 CAPN1 (0.55) PARP1KDM4EMYCCAPN1NAPRT
SCHEMBL5663804 0.78 CAPN1 (0.55) PARP1KDM4EMYCCAPN1NAPRT
SCHEMBL299870 0.78 HCRTR1 (0.48) PARP1CYP2A6KDM4EALDH1A1HPGD
SCHEMBL30597933 0.77 MEN1 (0.56) KDM4EALDH1A1RAB9ACAPN1
SCHEMBL28309777 0.76 ADORA3 (0.34) CYP2A6KDM4EALDH1A1SYKMAPT
SCHEMBL15758137 0.76 PARP1 (0.44) PARP1KDM4EALDH1A1RAB9AMAPT
SCHEMBL9826144 0.76 CYP2A6 (0.47) CYP2A6KDM4EALDH1A1MAPK10SMN1; SMN2

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
EP-2200440-A1 ANTIBACTERIAL AMIDE AND SULFONAMIDE SUBSTITUTED HETEROCYCLIC UREA COMPOUNDS Crestone, Inc. (US) 2010-06-30 EP claimed
WO-2009015208-A1 ANTIBACTERIAL AMIDE AND SULFONAMIDE SUBSTITUTED HETEROCYCLIC UREA COMPOUNDS REPLIDYNE, INC. (US) 2009-01-29 WO claimed
US-11851428-B2 Activator of TREK (TWIK RElated K+channels) channels ONO PHARMACEUTICAL CO., LTD. (JP) 2023-12-26 US disclosed
US-20210347773-A1 ACTIVATOR OF TREK (TWIK RELATED K+ CHANNELS) CHANNELS ONO PHARMACEUTICAL CO., LTD. (JP) 2021-11-11 US disclosed
US-11046683-B2 Activator of TREK (TWIK RElated K+ channels) channels ONO PHARMACEUTICAL CO., LTD. (JP) 2021-06-29 US disclosed
US-20190322662-A1 ACTIVATOR OF TREK (TWIK RELATED K+ CHANNELS) CHANNELS ONO PHARMACEUTICAL CO., LTD. (JP) 2019-10-24 US disclosed
EP-2200440-A1 ANTIBACTERIAL AMIDE AND SULFONAMIDE SUBSTITUTED HETEROCYCLIC UREA COMPOUNDS Crestone, Inc. (US) 2010-06-30 EP disclosed
WO-2009015208-A1 ANTIBACTERIAL AMIDE AND SULFONAMIDE SUBSTITUTED HETEROCYCLIC UREA COMPOUNDS REPLIDYNE, INC. (US) 2009-01-29 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 (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-11851428-B2 Activator of TREK (TWIK RElated K+channels) channels KCNJ11, KCNJ1, KCNJ8 PARP1 2920/4885CYP2A6 3644/4885KDM4E 3251/4885
US-20190322662-A1 ACTIVATOR OF TREK (TWIK RELATED K+ CHANNELS) CHANNELS KCNJ11, KCNJ1, KCNJ8 PARP1 2920/4885CYP2A6 3644/4885KDM4E 3251/4885
US-11046683-B2 Activator of TREK (TWIK RElated K+ channels) channels KCNJ11, KCNJ1, KCNJ8 PARP1 2920/4885CYP2A6 3644/4885KDM4E 3251/4885
US-20210347773-A1 ACTIVATOR OF TREK (TWIK RELATED K+ CHANNELS) CHANNELS KCNJ11, KCNJ1, KCNJ8 PARP1 2920/4885CYP2A6 3644/4885KDM4E 3251/4885

“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.