SCHEMBL22989003

SCHEMBL22989003

c1ccc(-n2c3ccccc3c3c(-c4nc(-c5ccc(-n6c7ccc8cccc9oc%10cccc%11ccc6c(c%11%10)c7c89)c6ccccc56)nc5c4oc4ccccc45)cccc32)cc1

nearest known ligand 0.31

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.31
ALDH1A1 P00352 2/20 0.30
TP53 P04637 1/20 0.30
TSHR P16473 1/20 0.30

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
SCHEMBL22989169 0.93
SCHEMBL22989011 0.89 TSHR (0.31) MAPTTSHR
SCHEMBL22989019 0.87 ALOX5 (0.34) MAPTALDH1A1TSHR
SCHEMBL22989238 0.87 TSHR (0.38) MAPTALDH1A1TSHR
SCHEMBL22945961 0.86
SCHEMBL22989014 0.86 TSHR (0.37) MAPTALDH1A1TSHR
SCHEMBL22989138 0.85 TSHR (0.32) MAPTALDH1A1TP53TSHR
SCHEMBL22988982 0.85 TSHR (0.38) MAPTALDH1A1TSHR
SCHEMBL22945654 0.85
SCHEMBL22944827 0.85

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 MAPT 2964/4885ALDH1A1 1603/4885TP53 2359/4885

“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.