SCHEMBL14828752

SCHEMBL14828752

Cc1cnc2nc(O)c(O)nc2c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.39
KDM4E B2RXH2 3/20 0.39
CCR1 P32246 2/20 0.39
CCR5 P51681 2/20 0.39
CCR8 P51685 2/20 0.39
ALDH1A1 P00352 2/20 0.38
MAPT P10636 2/20 0.38
MAPK1 P28482 1/20 0.38
HTT P42858 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
NOS3 P29474 1/20 0.34
NOS1 P29475 1/20 0.34
NOS2 P35228 1/20 0.34
APLNR P35414 1/20 0.32
PSMD14 O00487 1/20 0.32
COPS5 Q92905 1/20 0.32
PDE2A O00408 1/20 0.31
PDE10A Q9Y233 1/20 0.31
AURKA O14965 1/20 0.31

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
SCHEMBL14828799 0.75 CYP1A2 (0.39) CYP1A2KDM4ECCR1CCR5CCR8
SCHEMBL14828956 0.75
SCHEMBL14829018 0.75 HTT (0.49) CYP1A2ALDH1A1MAPTMAPK1HTT
SCHEMBL14829134 0.75 GUSB (0.38) ALDH1A1MAPK1HTTSMN1; SMN2NOS1
SCHEMBL21970622 0.72 CYP1A2 (0.45) CYP1A2KDM4ECCR1CCR5CCR8
SCHEMBL15471960 0.72 CYP1A2 (0.37) CYP1A2KDM4ECCR1CCR5CCR8
SCHEMBL14828794 0.71 KDM4E (0.40) KDM4EALDH1A1MAPTHTTSMN1; SMN2
SCHEMBL14828814 0.69 ALDH1A1 (0.49) KDM4EALDH1A1MAPTMAPK1HTT
SCHEMBL9572386 0.69 CCR1 (0.64) CYP1A2KDM4ECCR1CCR5CCR8
SCHEMBL14315734 0.69 CYP1A2 (0.54) CYP1A2KDM4ECCR1CCR5CCR8

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
EP-3461825-A1 NOVEL HETEROCYCLIC DERIVATIVES AND THEIR USES C&C Research Laboratories (KR) 2019-04-03 EP disclosed
EP-2760865-B1 NOVEL HETEROCYCLIC DERIVATIVES AND THEIR USES C&C RES LAB (KR) 2018-07-11 EP disclosed
US-9586959-B2 Substituted tricyclic heterocycles as histamine 4 receptor inhibitors C&C RESEARCH LABORATORIES (KR) 2017-03-07 US disclosed
US-20140315888-A1 NOVEL HETEROCYCLIC DERIVATIVES AND THEIR USES C&C RESEARCH LABORATORIES (KR) 2014-10-23 US disclosed
EP-2760865-A2 NOVEL HETEROCYCLIC DERIVATIVES AND THEIR USES C&C Research Laboratories (KR) 2014-08-06 EP disclosed
WO-2013048214-A2 NOVEL HETEROCYCLIC DERIVATIVES AND THEIR USES C&C RESEARCH LABORATORIES (KR) 2013-04-04 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 (1 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-20140315888-A1 NOVEL HETEROCYCLIC DERIVATIVES AND THEIR USES HRH4, HRH2, HRH1 CYP1A2 3293/4885KDM4E 2863/4885CCR1 130/4885

“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.