SCHEMBL21929623

SCHEMBL21929623

N#Cc1cccnc1-c1ccc(-c2ccccc2N2c3ccccc3N(c3ccccc3)c3ccccc32)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.47
HTT P42858 1/20 0.47
HSD17B10 Q99714 1/20 0.47
CNR2 P34972 1/20 0.42
HDAC1 Q13547 1/20 0.41
GRIA1 P42261 1/20 0.38
GRIA3 P42263 1/20 0.38
PDE4D Q08499 1/20 0.38
TSHR P16473 1/20 0.38
TRPV1 Q8NER1 1/20 0.38
MGLL Q99685 1/20 0.36
ESR2 Q92731 1/20 0.36
PTGS1 P23219 1/20 0.36
PTGS2 P35354 1/20 0.36
DRD2 P14416 1/20 0.36
HTR2A P28223 1/20 0.36
TNK2 Q07912 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
NTRK1 P04629 1/20 0.35

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
SCHEMBL21928177 0.90 ALDH1A1 (0.42) ALDH1A1HTTHSD17B10CNR2HDAC1
SCHEMBL21927413 0.89 ALDH1A1 (0.44) ALDH1A1HTTHSD17B10CNR2HDAC1
SCHEMBL21927270 0.87 ALDH1A1 (0.40) ALDH1A1HTTHSD17B10CNR2HDAC1
SCHEMBL21927945 0.84 ALDH1A1 (0.43) ALDH1A1HTTHSD17B10CNR2HDAC1
SCHEMBL21928144 0.84 CNR2 (0.41) ALDH1A1HTTHSD17B10CNR2HDAC1
SCHEMBL21928471 0.84 ALDH1A1 (0.43) ALDH1A1HTTHSD17B10CNR2HDAC1
SCHEMBL21929619 0.83 ALDH1A1 (0.44) ALDH1A1HTTHSD17B10GRIA1GRIA3
SCHEMBL21927648 0.82 ALDH1A1 (0.43) ALDH1A1HTTHSD17B10CNR2HDAC1
SCHEMBL21927989 0.82 CNR2 (0.41) ALDH1A1HTTHSD17B10CNR2HDAC1
SCHEMBL21929627 0.82 ALDH1A1 (0.44) ALDH1A1HTTHSD17B10CNR2HDAC1

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-20200131150-A1 CONDENSED CYCLIC COMPOUND, COMPOSITION INCLUDING THE SAME AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME SAMSUNG ELECTRONICS CO., LTD. (KR) 2020-04-30 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-20200131150-A1 CONDENSED CYCLIC COMPOUND, COMPOSITION INCLUDING THE SAME AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME CCNT1, CCNA1, CCNE2 ALDH1A1 511/4885HTT 2197/4885HSD17B10 3516/4885

“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.