SCHEMBL23751185

SCHEMBL23751185

Cc1ccc(S(=O)(=O)n2cc(-c3ccnc(NC(=O)C4CC4)c3)c3c(Oc4ccc5c(c4)CN(C(=O)O)CC5)ccnc32)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 1/20 0.37
▸ PIK3C3 Q8NEB9 2/20 0.36
▸ GSK3B P49841 8/20 0.35
▸ GSK3A P49840 3/20 0.35
▸ CDK9 P50750 3/20 0.35
▸ CDK1 P06493 2/20 0.35
▸ CDK2 P24941 2/20 0.35
▸ CDK3 Q00526 2/20 0.35
▸ CDK5 Q00535 2/20 0.35
▸ CCNT1 O60563 1/20 0.35
▸ CCNB1 P14635 1/20 0.35
▸ CCNE1 P24864 1/20 0.35
▸ CCNA1 P78396 1/20 0.35
▸ CDK5R1 Q15078 1/20 0.35
▸ KCNH2 Q12809 1/20 0.34
▸ DYRK1A Q13627 1/20 0.34
▸ ABL1 P00519 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ HPGD P15428 1/20 0.34
▸ HSD17B10 Q99714 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
SCHEMBL21593192 0.92 NR1H2 (0.38) MAPTPIK3C3
SCHEMBL29836554 0.92 NR1H2 (0.38) MAPTPIK3C3
SCHEMBL23762175 0.89 UCHL1 (0.35) CDK9CCNT1
SCHEMBL23751150 0.88 ALDH1A1 (0.34) MAPTPIK3C3KCNH2DYRK1AALDH1A1
SCHEMBL23762161 0.88 PIP5K1C (0.36) CDK9
SCHEMBL23751139 0.87 LMNA (0.37) MAPTPIK3C3ALDH1A1HPGD
SCHEMBL21593191 0.84 NR1H2 (0.38) MAPTCDK9CCNT1ALDH1A1HPGD
SCHEMBL21593118 0.83 NR1H2 (0.36) CDK9CCNT1
SCHEMBL21593221 0.82 UCHL1 (0.36) GSK3BDYRK1A
SCHEMBL23762216 0.82 ACACB (0.36) GSK3BGSK3A

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-20210253568-A1 AZAINDOLE DERIVATIVES AS RHO-KINASE INHIBITORS CHIESI FARMACEUTICI S.P.A. (IT) 2021-08-19 — — 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-20210253568-A1 AZAINDOLE DERIVATIVES AS RHO-KINASE INHIBITORS ROCK1, ROCK2, RHOA MAPT 3057/4885PIK3C3 808/4885GSK3B 84/4885

“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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