SCHEMBL3574573

SCHEMBL3574573

Cc1ccc(Nc2ccc3c(c2)/C(=C/Nc2ccc(CN4CCCCC4)cc2)C(=O)NC3=O)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 1/20 0.40
EGFR P00533 1/20 0.39
KDM4E B2RXH2 2/20 0.38
ALDH1A1 P00352 1/20 0.38
MAPK1 P28482 1/20 0.38
CDK4 P11802 1/20 0.38
CCND1 P24385 1/20 0.38
HRH3 Q9Y5N1 2/20 0.38
CASP3 P42574 1/20 0.38
CASP2 P42575 1/20 0.38
CASP7 P55210 1/20 0.38
CASP6 P55212 1/20 0.38
CASP8 Q14790 1/20 0.38
KMT2A Q03164 3/20 0.38
MEN1 O00255 2/20 0.38
CACNA1G O43497 2/20 0.37
LMNA P02545 2/20 0.37
RET P07949 1/20 0.36
CXCR4 P61073 1/20 0.36
SYK P43405 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
SCHEMBL3574577 1.00 APP (0.40) APPEGFRKDM4EALDH1A1MAPK1
SCHEMBL3562952 0.92 KDM4E (0.39) KDM4EALDH1A1MAPK1CDK4CCND1
SCHEMBL3562950 0.92 KDM4E (0.39) KDM4EALDH1A1MAPK1CDK4CCND1
SCHEMBL3567794 0.91 CDK4 (0.46) APPEGFRKDM4EALDH1A1MAPK1
SCHEMBL3567788 0.91 CDK4 (0.46) APPEGFRKDM4EALDH1A1MAPK1
SCHEMBL3571195 0.91 KDM4E (0.43) KDM4EALDH1A1CDK4CCND1CASP3
SCHEMBL3571191 0.91 KDM4E (0.43) KDM4EALDH1A1CDK4CCND1CASP3
SCHEMBL3565419 0.90 ALDH1A1 (0.47) EGFRKDM4EALDH1A1CDK4CCND1
SCHEMBL3567529 0.90 KMT2A (0.46) APPEGFRKDM4EALDH1A1CDK4
SCHEMBL3565416 0.90 ALDH1A1 (0.47) EGFRKDM4EALDH1A1CDK4CCND1

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 4705/4885EGFR 2997/4885KDM4E 2158/4885

“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.