SCHEMBL19009218

SCHEMBL19009218

CCn1c2cccnc2c2ncccc21

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 1/20 0.50
PTGER4 P35408 2/20 0.46
ALDH1A1 P00352 5/20 0.44
RORC P51449 1/20 0.41
KDM4E B2RXH2 6/20 0.41
NPC1 O15118 4/20 0.41
MAPT P10636 4/20 0.41
L3MBTL1 Q9Y468 3/20 0.41
TP53 P04637 2/20 0.41
TSHR P16473 2/20 0.41
HSD17B10 Q99714 2/20 0.41
HCRTR1 O43613 1/20 0.41
USP2 O75604 1/20 0.41
CASP1 P29466 1/20 0.41
CASP7 P55210 1/20 0.41
HTT P42858 4/20 0.40
CYP2D6 P10635 2/20 0.40
HSP90AA1 P07900 2/20 0.40
CYP1A2 P05177 1/20 0.40
NPY5R Q15761 1/20 0.40

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
SCHEMBL13866623 0.87 PTGER4 (0.59) MAPK14PTGER4ALDH1A1RORCKDM4E
SCHEMBL19009213 0.81 MAPK14 (0.50) MAPK14PTGER4ALDH1A1RORCKDM4E
SCHEMBL23656169 0.81 TLR8 (0.41) MAPK14PTGER4ALDH1A1RORCKDM4E
SCHEMBL4551428 0.80 CMA1 (0.45) MAPK14ALDH1A1KDM4EMAPTHSD17B10
SCHEMBL14329570 0.78 ALDH1A1 (0.42) MAPK14PTGER4ALDH1A1RORCKDM4E
SCHEMBL13556838 0.77 PTGER4 (0.43) MAPK14PTGER4ALDH1A1RORCKDM4E
SCHEMBL2628342 0.75 ADORA3 (0.54) MAPK14KDM4ENPC1MAPTL3MBTL1
SCHEMBL29643231 0.74 RORC (0.60) PTGER4ALDH1A1RORCKDM4EMAPT
SCHEMBL19271279 0.73 ALDH1A1 (0.44) PTGER4ALDH1A1KDM4ENPC1MAPT
SCHEMBL9375371 0.73 CCR1 (0.48) MAPK14ALDH1A1KDM4EMAPTL3MBTL1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170174705-A1 CONDENSED CYCLIC COMPOUND, COMPOSITION INCLUDING THE CONDENSED CYCLIC COMPOUND, ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE CONDENSED CYCLIC COMPOUND, AND METHOD OF MANUFACTURING THE ORGANIC LIGHT-EMITTING DEVICE SAMSUNG ELECTRONICS CO., LTD. (KR) 2017-06-22 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 (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-20170174705-A1 CONDENSED CYCLIC COMPOUND, COMPOSITION INCLUDING THE CONDENSED CYCLIC COMPOUND, ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE CONDENSED CYCLIC COMPOUND, AND METHOD OF MANUFACTURING THE ORGANIC LIGHT-EMITTING DEVICE CRY1, C9, CRY2 MAPK14 3600/4885PTGER4 596/4885ALDH1A1 490/4885

“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.