SCHEMBL13973918

SCHEMBL13973918

COc1ccc2c(c1)C(=N\O)/C(=C1/C(=O)Nc3ccc(OC(F)(F)F)cc31)N2

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CES1 P23141 1/20 0.53
▸ LRRK2 Q5S007 5/20 0.50
▸ CA1 P00915 4/20 0.47
▸ CA2 P00918 4/20 0.47
▸ ALDH1A1 P00352 3/20 0.47
▸ MAPT P10636 2/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.46
▸ MAP3K7 O43318 1/20 0.45
▸ TAB1 Q15750 1/20 0.45
▸ RET P07949 1/20 0.43
▸ TGM2 P21980 1/20 0.42
▸ MEN1 O00255 1/20 0.41
▸ APP P05067 1/20 0.41
▸ SNCA P37840 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ TLK2 Q86UE8 1/20 0.40
▸ ABL1 P00519 2/20 0.40
▸ CA4 P22748 1/20 0.39
▸ CA7 P43166 1/20 0.39
▸ PDE3B Q13370 1/20 0.39

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
SCHEMBL13561313 0.92 ALDH1A1 (0.55) LRRK2CA1CA2ALDH1A1MAPT
SCHEMBL13973915 0.88 KDR (0.51) LRRK2CA1CA2ALDH1A1MAPT
SCHEMBL20714579 0.85 MAPT (0.54) LRRK2ALDH1A1MAPTSMN1; SMN2RET
SCHEMBL13973913 0.85 CES1 (0.67) CES1LRRK2CA1CA2ALDH1A1
SCHEMBL9472806 0.83 CES1 (0.67) CES1LRRK2CA1CA2ALDH1A1
SCHEMBL9472812 0.83 CES1 (0.67) CES1LRRK2CA1CA2ALDH1A1
SCHEMBL13973919 0.82 CAPN9 (0.46) LRRK2CA1CA2ALDH1A1MAPT
SCHEMBL30978130 0.77 MAPT (0.52) LRRK2ALDH1A1MAPTSMN1; SMN2RET
SCHEMBL12444419 0.74 CES1 (0.65) CES1LRRK2CA1CA2ALDH1A1
SCHEMBL23347502 0.74 MAPT (0.54) LRRK2ALDH1A1MAPTSMN1; SMN2RET

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
US-8859783-B2 Indirubin-3′-oxime derivatives as potent cyclin dependent kinase inhibitors ANYGEN CO., LTD. (KR) 2014-10-14 — — US disclosed
US-20120295948-A1 INDIRUBIN-3'-OXIME DERIVATIVES AS POTENT CYCLIN DEPENDENT KINASE INHIBITORS ANYGEN CO., LTD. (KR) 2012-11-22 — — 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-20120295948-A1 INDIRUBIN-3'-OXIME DERIVATIVES AS POTENT CYCLIN DEPENDENT KINASE INHIBITORS CCNI, CCNK, CDK2 CES1 2418/4885LRRK2 2374/4885CA1 3526/4885

“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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