SCHEMBL22988973

SCHEMBL22988973

c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc4c(-n5c6ccc7cccc8sc9cccc%10ccc5c(c%109)c6c78)cccc34)n2)cc1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.33
TSHR P16473 2/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
TP53 P04637 1/20 0.33
MAPT P10636 1/20 0.33
HPGD P15428 1/20 0.33
NFKB1 P19838 1/20 0.33
MAPK1 P28482 1/20 0.33
NFKB2 Q00653 1/20 0.33
RELA Q04206 1/20 0.33
ATM Q13315 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HSD17B10 Q99714 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
ADORA2A P29274 2/20 0.32
ADORA1 P30542 2/20 0.32
CYP1A1 P04798 1/20 0.32
CYP1B1 Q16678 1/20 0.32
PDE6D O43924 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
SCHEMBL22989158 0.94 MAPT (0.36) TDP1TSHRKDM4EALDH1A1TP53
SCHEMBL22989189 0.88 KMT2A (0.38) TDP1KDM4EALDH1A1MAPTHPGD
SCHEMBL24266984 0.87
SCHEMBL22989245 0.86 ALOX5 (0.32) TSHRKDM4EALDH1A1MAPTMAPK1
SCHEMBL17178535 0.85 ALDH1A1 (0.40) TDP1TSHRKDM4EALDH1A1TP53
SCHEMBL22988960 0.85 MAPT (0.36) TDP1TSHRKDM4EALDH1A1TP53
SCHEMBL22989183 0.85 MEN1 (0.33) ATMADORA2A
SCHEMBL24152200 0.85 CYP1A1 (0.32) TDP1TSHRKDM4EALDH1A1TP53
SCHEMBL22989178 0.85 MEN1 (0.33) TDP1MAPTMAPK1L3MBTL1LIMK1
SCHEMBL24450723 0.84

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021029757-A1 NOVEL COMPOUND AND ORGANIC LIGHT EMITTING DEVICE USING SAME 주식회사 엘지화학 2021-02-18 WO disclosed
US-20160340361-A1 PIPERIDINE INHIBITORS OF JANUS KINASE 3 AUSPEX PHARMACEUTICALS, INC. 2016-11-24 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-20160340361-A1 PIPERIDINE INHIBITORS OF JANUS KINASE 3 JAK2, JAK3, PAK3 TDP1 2946/4885TSHR 3548/4885KDM4E 568/4885

“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.