SCHEMBL5870514

SCHEMBL5870514

O=C1NC(=O)c2c1c1c3cc(F)c(F)cc3[nH]c1c1c2c2cc(F)c(F)cc2n1[C@@H]1O[C@H](COCc2ccccc2)[C@H](O)[C@H](OCc2ccccc2)[C@H]1OCc1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TOP1 P11387 17/20 0.61
PRKCA P17252 2/20 0.38
DYRK1A Q13627 1/20 0.37
PAX8 Q06710 1/20 0.37
EGFR P00533 1/20 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
SCHEMBL6724824 1.00 TOP1 (0.61) TOP1PRKCADYRK1APAX8EGFR
SCHEMBL8192076 0.89 TOP1 (0.52) TOP1
SCHEMBL5870061 0.88 TOP1 (0.58) TOP1DYRK1APAX8
SCHEMBL7861913 0.88 TOP1 (0.65) TOP1PRKCADYRK1APAX8EGFR
SCHEMBL7860505 0.86 TOP1 (0.45) TOP1PRKCA
SCHEMBL7024637 0.86 TOP1 (0.51) TOP1PRKCA
SCHEMBL6731989 0.84 TOP1 (0.62) TOP1PRKCA
SCHEMBL7860461 0.84 TOP1 (0.54) TOP1
SCHEMBL5870062 0.84 TOP1 (0.54) TOP1
SCHEMBL6736290 0.83 TOP1 (0.57) TOP1PRKCA

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-7138377-B2 Topoisomerase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2006-11-21 US disclosed
US-6653290-B2 Sugar derivatives of indolocarbazoles; exhibit topoisomerase-I activity BRISTOL-MYERS SQUIBB COMPANY 2003-11-25 US disclosed
US-20030203860-A1 Substituted sugar derivatives of indolopyrrolocarbazoles, useful in inhibiting the proliferatin of tumor cells BRISTOL-MYERS SQUIBB COMPANY 2003-10-30 US disclosed
US-20020068705-A1 Tumor proliferation inhibitors BRISTOL-MYERS SQUIBB COMPANY 2002-06-06 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 (2 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-20020068705-A1 Tumor proliferation inhibitors MKI67, TOP1, CCNI TOP1 2/4885PRKCA 2256/4885DYRK1A 1323/4885
US-20030203860-A1 Substituted sugar derivatives of indolopyrrolocarbazoles, useful in inhibiting the proliferatin of tumor cells TYMP, MKI67, CCNI TOP1 5/4885PRKCA 1648/4885DYRK1A 2042/4885

“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.