SCHEMBL21929615

SCHEMBL21929615

N#Cc1cccnc1-c1ccccc1-c1ccccc1N1c2ccccc2Sc2ccccc21

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.38
MEN1 O00255 2/20 0.38
ALDH1A1 P00352 3/20 0.36
KDM1A O60341 2/20 0.36
HTT P42858 1/20 0.36
HSD17B10 Q99714 1/20 0.36
CNR2 P34972 1/20 0.35
FNTA P49354 1/20 0.34
FNTB P49356 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.33
PDE4B Q07343 1/20 0.33
PTPRC P08575 2/20 0.33
CTSL P07711 1/20 0.33
CTSS P25774 1/20 0.33
PTPN13 Q12923 1/20 0.33
HDAC1 Q13547 1/20 0.32
HPGD P15428 1/20 0.32
GPR84 Q9NQS5 1/20 0.32
GABRA1 P14867 1/20 0.32
GABRG2 P18507 1/20 0.32

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
SCHEMBL21927638 0.95 KMT2A (0.39) KMT2AMEN1ALDH1A1KDM1AHTT
SCHEMBL21927945 0.88 ALDH1A1 (0.43) KMT2AMEN1ALDH1A1HTTHSD17B10
SCHEMBL21927646 0.84 ALDH1A1 (0.41) KMT2AMEN1ALDH1A1HTTHSD17B10
SCHEMBL21927259 0.83 GABRA1 (0.36) KMT2AMEN1ALDH1A1HTTHSD17B10
SCHEMBL21927270 0.83 ALDH1A1 (0.40) ALDH1A1HTTHSD17B10CNR2SMN1; SMN2
SCHEMBL21929618 0.83 KMT2A (0.40) KMT2AMEN1ALDH1A1KDM1AHTT
SCHEMBL21927286 0.82 ALDH1A1 (0.36) ALDH1A1HTTHSD17B10CNR2PDE4B
SCHEMBL17954897 0.82 MAOA (0.40) KMT2AMEN1ALDH1A1FNTAFNTB
SCHEMBL21922080 0.80 HTT (0.38) KMT2AMEN1ALDH1A1HTTHSD17B10
SCHEMBL21928130 0.78 UCHL1 (0.39) KMT2AMEN1ALDH1A1HTTFNTA

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 KMT2A 2038/4885MEN1 113/4885ALDH1A1 511/4885

“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.