SCHEMBL19009236

SCHEMBL19009236

Cc1cccc(-c2cc(-c3ccccn3)cc(-c3ccccn3)c2)n1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 4/20 0.54
CCR8 P51685 4/20 0.54
KDM4E B2RXH2 4/20 0.53
NPC1 O15118 2/20 0.53
CYP2A6 P11509 2/20 0.51
IRAK4 Q9NWZ3 1/20 0.51
GRM5 P41594 4/20 0.50
TDP1 Q9NUW8 3/20 0.50
CCR5 P51681 3/20 0.50
LMNA P02545 2/20 0.50
TP53 P04637 2/20 0.50
ALPL P05186 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
HSP90AA1 P07900 1/20 0.50
ALPI P09923 1/20 0.50
ALPG P10696 1/20 0.50
ALOX15 P16050 1/20 0.50
MAPK1 P28482 1/20 0.50
HTT P42858 1/20 0.50
L3MBTL1 Q9Y468 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
SCHEMBL12068477 0.86 KDM4E (0.67) CCR1CCR8KDM4ENPC1CYP2A6
SCHEMBL13483700 0.86 CCR1 (0.71) CCR1CCR8CYP2A6TGFBR1MEN1
SCHEMBL19039832 0.85 IRAK4 (0.46) CCR1CCR8KDM4ENPC1CYP2A6
SCHEMBL254903 0.84 KDM4E (0.71) CCR1CCR8KDM4ENPC1CYP2A6
SCHEMBL29595637 0.84 KDM4E (0.71) CCR1CCR8KDM4ENPC1CYP2A6
SCHEMBL23571942 0.82 IRAK4 (0.47) CCR1CCR8NPC1CYP2A6IRAK4
SCHEMBL14255745 0.82 KDM4E (0.75) CCR1CCR8KDM4ENPC1CYP2A6
SCHEMBL16547132 0.82 KDM4E (0.58) CCR1CCR8KDM4ENPC1CYP2A6
SCHEMBL16189521 0.82 IRAK4 (0.44) CCR1CCR8KDM4ENPC1CYP2A6
SCHEMBL16189419 0.82 IRAK4 (0.44) CCR1CCR8KDM4ECYP2A6IRAK4

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 CCR1 90/4885CCR8 826/4885KDM4E 3649/4885

“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.