SCHEMBL3566873

SCHEMBL3566873

COC=C1C(=O)NC(=O)c2ccc(F)cc21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TGM2 P21980 1/20 0.44
PARP1 P09874 1/20 0.44
CCNE1 P24864 2/20 0.43
CDK2 P24941 2/20 0.43
CCNE2 O96020 1/20 0.43
GRM5 P41594 2/20 0.43
MDM2 Q00987 1/20 0.42
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
PRKD3 O94806 1/20 0.41
EGFR P00533 1/20 0.41
PRKCG P05129 1/20 0.41
PRKCB P05771 1/20 0.41
MAPT P10636 1/20 0.41
SRC P12931 1/20 0.41
PRKCA P17252 1/20 0.41
PRKCH P24723 1/20 0.41
PRKCI P41743 1/20 0.41
PRKCE Q02156 1/20 0.41
PRKCQ Q04759 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
SCHEMBL3566869 1.00 TGM2 (0.44) TGM2PARP1CCNE1CDK2CCNE2
SCHEMBL3571387 0.83 PPOX (0.62) TGM2MDM2EGFRPPOX
SCHEMBL3571389 0.83 PPOX (0.62) TGM2MDM2EGFRPPOX
SCHEMBL3563332 0.81 CDK4 (0.50) TGM2CDK2PPOX
SCHEMBL3566432 0.81 ALDH1A1 (0.47) CCNE1CDK2MDM2MEN1KMT2A
SCHEMBL3566429 0.81 ALDH1A1 (0.47) CCNE1CDK2MDM2MEN1KMT2A
SCHEMBL3559841 0.81 MAPT (0.46) TGM2CDK2MEN1KMT2AEGFR
SCHEMBL3559843 0.81 MAPT (0.46) TGM2CDK2MEN1KMT2AEGFR
SCHEMBL3559846 0.81 MAPT (0.46) TGM2CDK2MEN1KMT2AEGFR
SCHEMBL3574640 0.81 CDK4 (0.50) TGM2CDK2PPOX

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 disclosed
EP-1963273-A2 SUBSTITUTED ISOQUINOLINE-1,3(2H,4H)-DIONES, 1-THIOXO-1,4-DIHYDRO-2H-ISOQUINOLINE-3-ONES AND 1,4-DIHYDRO-3(2H)-ISOQUINOLONES AND USE THEREOF AS KINASE INHIBITORS Wyeth a Corporation of the State of Delaware (US) 2008-09-03 EP 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
WO-2007075783-A2 SUBSTITUTED ISOQUINOLINE-1,3(2H,4H)-DIONES, 1-THIOXO-1,4-DIHYDRO-2H-ISOQUINOLINE-3-ONES AND 1,4-DIHYDRO-3(2H)-ISOQUINOLONES AND USE THEREOF AS KINASE INHIBITOR WYETH (US) 2007-07-05 WO 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 TGM2 1223/4885PARP1 1048/4885CCNE1 31/4885

“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.