SCHEMBL29331948

SCHEMBL29331948

COc1ccccc1-c1cc(-c2ccc(F)cc2)[nH]c(=N)c1C#N

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SQOR Q9Y6N5 3/20 0.53
▸ ALDH1A1 P00352 6/20 0.46
▸ KDM4E B2RXH2 3/20 0.46
▸ GAA P10253 2/20 0.46
▸ GLA P06280 1/20 0.46
▸ TNKS O95271 1/20 0.45
▸ KMT2A Q03164 5/20 0.45
▸ MEN1 O00255 4/20 0.45
▸ BLM P54132 1/20 0.45
▸ MAPT P10636 4/20 0.45
▸ SMN1; SMN2 Q16637 1/20 0.45
▸ NPSR1 Q6W5P4 1/20 0.45
▸ GCGR P47871 1/20 0.43
▸ MAPK14 Q16539 1/20 0.43
▸ PGR P06401 1/20 0.42
▸ AR P10275 1/20 0.42
▸ USP2 O75604 1/20 0.42
▸ HTT P42858 2/20 0.41
▸ PIM1 P11309 1/20 0.41
▸ HPGD P15428 1/20 0.41

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
SCHEMBL29335410 0.86 KDM4E (0.49) SQORALDH1A1KDM4EGAAGLA
SCHEMBL23920029 0.83 PIM1 (0.47) ALDH1A1KDM4EGAAKMT2AMEN1
SCHEMBL31695335 0.83 KDM4E (0.59) SQORALDH1A1KDM4EGAAGLA
SCHEMBL31695295 0.83 KDM4E (0.48) SQORALDH1A1KDM4EGAAGLA
SCHEMBL23841138 0.82 ATM (0.57) SQORALDH1A1KDM4EGAAGLA
SCHEMBL31695294 0.78 KDR (0.50) SQORALDH1A1KDM4EGAAKMT2A
SCHEMBL29331950 0.76 PIM1 (0.69) ALDH1A1KDM4EGAAGLAKMT2A
SCHEMBL23841122 0.75 MAPT (0.58) ALDH1A1KDM4EGAAGLAKMT2A
SCHEMBL31695313 0.74 IL4 (0.54) ALDH1A1KDM4EGAAKMT2AMEN1
SCHEMBL29335418 0.74 IL4 (0.54) ALDH1A1KDM4EGAAKMT2AMEN1

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-12043621-B2 Small molecule inhibitors of Interleukin-4 TRUSTEES OF BOSTON UNIVERSITY (US) 2024-07-23 — — 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-12043621-B2 Small molecule inhibitors of Interleukin-4 IL4, IL2, IL4I1 SQOR 3859/4885ALDH1A1 3144/4885KDM4E 586/4885

“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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