SCHEMBL9963504

SCHEMBL9963504

COC(=O)CNc1nc2cc3nc(NCC(=O)OC)sc3c(C(F)(F)F)c2s1

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TOP2A P11388 3/20 0.38
CSNK1D P48730 7/20 0.36
NCS1 P62166 1/20 0.35
DYRK1A Q13627 2/20 0.35
PTGS2 P35354 1/20 0.34
PKM P14618 1/20 0.34
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
HSD17B10 Q99714 1/20 0.33

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
SCHEMBL9963498 0.79 TOP2A (0.46) TOP2ACSNK1DDYRK1AALDH1A1LMNA
SCHEMBL9963605 0.74 PTGS2 (0.45) TOP2ADYRK1APTGS2PKMSMN1; SMN2
SCHEMBL9963493 0.68 GAA (0.39) TOP2APTGS2PKMALDH1A1LMNA
SCHEMBL9963603 0.67 PTGS2 (0.53) TOP2APTGS2ALDH1A1LMNASMN1; SMN2
SCHEMBL9963491 0.67 RAB9A (0.37) TOP2ADYRK1APTGS2PKMALDH1A1
SCHEMBL9963517 0.66 GAA (0.41) TOP2ADYRK1APTGS2PKMALDH1A1
SCHEMBL9963502 0.65 TMPRSS15 (0.56) TOP2ADYRK1ASMN1; SMN2
SCHEMBL9963615 0.64 PTGS2 (0.43) TOP2APTGS2PKMALDH1A1LMNA
SCHEMBL9928638 0.63 ALDH1A1 (0.48) TOP2APTGS2PKMALDH1A1LMNA
SCHEMBL15943687 0.63 SMN1; SMN2 (0.49) PKMALDH1A1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2032583-B1 NEW CHEMICAL COMPOUNDS BOEHRINGER INGELHEIM INT (DE) 2014-11-19 EP disclosed
US-8203001-B2 Chemical compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-06-19 US disclosed
US-8203001-B2 Chemical compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-06-19 US disclosed
US-20090258857-A1 CHEMICAL COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-10-15 US disclosed
US-20090258857-A1 CHEMICAL COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-10-15 US disclosed
WO-2007144370-A1 NEW CHEMICAL COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-12-21 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-20090258857-A1 CHEMICAL COMPOUNDS CCNA1, CCNT1, MKI67 TOP2A 772/4885CSNK1D 402/4885NCS1 1327/4885

“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.