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SCHEMBL3570701

SCHEMBL3570701

COc1ccc(Nc2ccc3c(c2)C(=CNc2ccc(CN(C)C)cc2)C(=O)NC3=O)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ APP P05067 1/20 0.44
▸ MEN1 O00255 4/20 0.43
▸ KMT2A Q03164 4/20 0.43
▸ EGFR P00533 1/20 0.42
▸ SRC P12931 1/20 0.42
▸ CASP3 P42574 2/20 0.42
▸ MAOA P21397 2/20 0.41
▸ MAOB P27338 2/20 0.41
▸ CDK4 P11802 1/20 0.39
▸ CCND1 P24385 1/20 0.39
▸ CDK2 P24941 1/20 0.39
▸ ACP1 P24666 1/20 0.39
▸ NPC1 O15118 3/20 0.37
▸ GAA P10253 3/20 0.37
▸ RAB9A P51151 3/20 0.37
▸ ALDH1A1 P00352 2/20 0.37
▸ HPGD P15428 1/20 0.37
▸ MAPT P10636 2/20 0.36
▸ HTT P42858 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL3570696 1.00 APP (0.44) APPMEN1KMT2AEGFRSRC
SCHEMBL3571428 0.91 CASP3 (0.47) MEN1KMT2AEGFRSRCCASP3
SCHEMBL3571424 0.91 CASP3 (0.47) MEN1KMT2AEGFRSRCCASP3
SCHEMBL3565076 0.89 APP (0.41) APPMEN1KMT2AEGFRSRC
SCHEMBL3565072 0.89 APP (0.41) APPMEN1KMT2AEGFRSRC
SCHEMBL3567529 0.82 KMT2A (0.46) APPMEN1KMT2AEGFRSRC
SCHEMBL3567526 0.82 KMT2A (0.46) APPMEN1KMT2AEGFRSRC
SCHEMBL13343890 0.81 CDK4 (0.50) APPKMT2ACASP3MAOAMAOB
SCHEMBL3567091 0.81 KMT2A (0.42) MEN1KMT2ACASP3RAB9AALDH1A1
SCHEMBL3567085 0.81 KMT2A (0.42) MEN1KMT2ACASP3RAB9AALDH1A1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7713994-B2 Substituted isoquinoline-1,3(2H,4H)-diones, 1-thioxo,1,4-dihydro-2H-isoquinoline-3-ones and 1,4-dihyro-3 (2H)-isoquinolones and methods of use thereof WYETH LLC (US) 2010-05-11 — — US claimed
US-20080085890-A1 Substituted isoquinoline-1,3(2H,4H)-diones, 1-thioxo-1,4-dihydro-2H-isoquinoline-3-ones and 1,4-dihydro-3 (2H)-isoquinolones and methods of use thereof WYETH (US) 2008-04-10 — — US claimed
US-7713994-B2 Substituted isoquinoline-1,3(2H,4H)-diones, 1-thioxo,1,4-dihydro-2H-isoquinoline-3-ones and 1,4-dihyro-3 (2H)-isoquinolones and methods of use thereof WYETH LLC (US) 2010-05-11 — — US disclosed
US-20080085890-A1 Substituted isoquinoline-1,3(2H,4H)-diones, 1-thioxo-1,4-dihydro-2H-isoquinoline-3-ones and 1,4-dihydro-3 (2H)-isoquinolones and methods of use thereof WYETH (US) 2008-04-10 — — 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-20080085890-A1 Substituted isoquinoline-1,3(2H,4H)-diones, 1-thioxo-1,4-dihydro-2H-isoquinoline-3-ones and 1,4-dihydro-3 (2H)-isoquinolones and methods of use thereof SULT1E1, RECQL, HAX1 APP 4705/4885MEN1 1015/4885KMT2A 1053/4885

“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.