SCHEMBL22988985

SCHEMBL22988985

c1ccc2cc(-c3nc(-c4ccc(-n5c6ccc7cccc8oc9cccc%10ccc5c(c%109)c6c78)c5ccccc45)nc4ccccc34)ccc2c1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.34
MAPT P10636 1/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
ATM Q13315 1/20 0.33
AURKA O14965 1/20 0.32
AURKB Q96GD4 1/20 0.32
ADORA2A P29274 1/20 0.32
PDK1 Q15118 1/20 0.31
PDK2 Q15119 1/20 0.31
PDK3 Q15120 1/20 0.31
PDK4 Q16654 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
VDR P11473 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2B6 P20813 1/20 0.31
AHR P35869 1/20 0.31
NR1I3 Q14994 1/20 0.31
L3MBTL1 Q9Y468 2/20 0.31

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
SCHEMBL22989155 0.92 MEN1 (0.32) MEN1KMT2AATMPDK1PDK2
SCHEMBL22989151 0.92 MEN1 (0.33) ALDH1A1MAPTMEN1KMT2AATM
SCHEMBL22989157 0.92 MEN1 (0.39) ALDH1A1MAPTMEN1KMT2AATM
SCHEMBL22989149 0.92 MEN1 (0.38) ALDH1A1MAPTMEN1KMT2AATM
SCHEMBL22989156 0.88 KDM4E (0.31) ATML3MBTL1KDM4E
SCHEMBL22989034 0.88 ALDH1A1 (0.34) ALDH1A1MAPTMEN1KMT2AATM
SCHEMBL22989123 0.87 MEN1 (0.33) ALDH1A1MEN1KMT2AATMAURKA
SCHEMBL22989150 0.87 ALDH1A1 (0.35) ALDH1A1MAPTMEN1KMT2AATM
SCHEMBL22988999 0.87 CYP1A2 (0.33) ALDH1A1MAPTADORA2ACYP1A2L3MBTL1
SCHEMBL22989153 0.86 CYP1A2 (0.30) CYP1A2

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 ALDH1A1 1603/4885MAPT 2964/4885MEN1 4552/4885

“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.