SCHEMBL22988990

SCHEMBL22988990

Clc1cccc2c(-c3nc(-c4ccccc4)c4sc5ccccc5c4n3)cccc12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RXFP1 Q9HBX9 2/20 0.38
▸ ALDH1A1 P00352 2/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ MEN1 O00255 4/20 0.36
▸ KMT2A Q03164 4/20 0.36
▸ LMNA P02545 3/20 0.36
▸ L3MBTL1 Q9Y468 3/20 0.36
▸ MAPK1 P28482 3/20 0.36
▸ TDP1 Q9NUW8 3/20 0.36
▸ MAPT P10636 3/20 0.36
▸ MMP14 P50281 2/20 0.36
▸ HTT P42858 1/20 0.36
▸ PDE10A Q9Y233 1/20 0.35
▸ DHODH Q02127 2/20 0.35
▸ ATM Q13315 1/20 0.34
▸ TNKS O95271 1/20 0.34
▸ TNKS2 Q9H2K2 1/20 0.34
▸ LIMK1 P53667 2/20 0.34
▸ NPSR1 Q6W5P4 2/20 0.34
▸ DPP4 P27487 1/20 0.34

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
SCHEMBL22989232 0.94 TNKS (0.35) RXFP1ALDH1A1KDM4EMEN1KMT2A
SCHEMBL22989048 0.91 TNKS (0.36) RXFP1ALDH1A1KDM4EMEN1KMT2A
SCHEMBL16902210 0.88 ALDH1A1 (0.40) ALDH1A1KDM4EMEN1KMT2ALMNA
SCHEMBL18018060 0.88 TNKS (0.39) ALDH1A1MEN1KMT2ALMNAL3MBTL1
SCHEMBL18018059 0.87 TNKS (0.39) ALDH1A1MEN1KMT2ALMNAL3MBTL1
SCHEMBL18018062 0.87 TNKS (0.39) ALDH1A1MEN1KMT2ALMNAL3MBTL1
SCHEMBL19106721 0.86 ALOX5 (0.36) ALDH1A1KDM4EMEN1KMT2ALMNA
SCHEMBL18018080 0.85 TNKS (0.40) ALDH1A1KDM4EMEN1KMT2AMAPT
SCHEMBL16902374 0.85 TNKS (0.38) ALDH1A1MEN1KMT2ALMNAL3MBTL1
SCHEMBL18018082 0.84 TNKS (0.40) ALDH1A1KDM4EMEN1KMT2AMAPT

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 RXFP1 3196/4885ALDH1A1 1603/4885KDM4E 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.

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