SCHEMBL18165030

SCHEMBL18165030

C=c1[nH]c(=O)c2c3ccccc3c3c4ccc5c6c(c7ccccc7c(c7ccc1c2c73)c64)C(=O)NC5=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PARP1 P09874 3/20 0.43
▸ CDC25A P30304 2/20 0.38
▸ CDC25C P30307 2/20 0.38
▸ CDK4 P11802 10/20 0.38
▸ CCND1 P24385 10/20 0.38
▸ CDK5 Q00535 4/20 0.38
▸ CDK5R1 Q15078 4/20 0.38
▸ GSK3B P49841 4/20 0.38
▸ GSK3A P49840 2/20 0.38
▸ CCNE2 O96020 6/20 0.37
▸ CCNE1 P24864 6/20 0.37
▸ CDK2 P24941 6/20 0.37
▸ CAMK2B Q13554 5/20 0.37
▸ CAMK2G Q13555 5/20 0.37
▸ CAMK2D Q13557 5/20 0.37
▸ CAMK2A Q9UQM7 5/20 0.37
▸ CCNB2 O95067 4/20 0.37
▸ CDK1 P06493 4/20 0.37
▸ CCNB1 P14635 4/20 0.37
▸ CCNB3 Q8WWL7 4/20 0.37

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
SCHEMBL16855803 0.87 PARP1 (0.49) PARP1CDK4CCND1CDK5CDK5R1
SCHEMBL15583044 0.78 PARP1 (0.39) PARP1CDC25ACDC25CGSK3BMEN1
SCHEMBL25868511 0.78 PARP1 (0.39) PARP1CDC25ACDC25CGSK3BMEN1
SCHEMBL13221849 0.76 PARP1 (0.40) PARP1GSK3BMEN1MAPTKMT2A
SCHEMBL170829 0.74 PARP1 (0.47) PARP1CDC25ACDC25CCDK4CCND1
SCHEMBL3947648 0.70 WEE1 (0.43) PARP1CDK4CCND1CDK5CDK5R1
SCHEMBL8442002 0.70 PARP1 (0.42) PARP1CDC25ACDC25CMEN1MAPT
SCHEMBL3946790 0.68 PARP1 (0.37) PARP1CDK4CCND1GSK3BCDK2
SCHEMBL2854316 0.68 PARP1 (0.36) PARP1CDK4CCND1CDK5CDK5R1
SCHEMBL12031536 0.68 PARP1 (0.42) PARP1CDK4CCND1CDK5CDK5R1

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-20160304473-A1 EXCIMER FORMING COMPOUNDS THE GOVERNING COUNCIL OF THE UNIVERSITY OF TORONTO (CA) 2016-10-20 — — 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-20160304473-A1 EXCIMER FORMING COMPOUNDS PHAX, RNMT, POLM PARP1 1992/4885CDC25A 2366/4885CDC25C 1590/4885

“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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