SCHEMBL4865627

SCHEMBL4865627

O=C1Cc2ccc3nc[nH]c3c2C(=O)N1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TDP2 O95551 16/20 0.47
CASP3 P42574 1/20 0.38
CASP7 P55210 1/20 0.38
CASP9 P55211 1/20 0.38
CASP6 P55212 1/20 0.38
CASP8 Q14790 1/20 0.38
MAP3K14 Q99558 1/20 0.38
PARP1 P09874 2/20 0.37
CMA1 P23946 1/20 0.36
AHR P35869 1/20 0.36
ALDH1A1 P00352 1/20 0.35
PDPK1 O15530 1/20 0.34
CA12 O43570 1/20 0.34
ALOX15 P16050 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
CA9 Q16790 1/20 0.34
TNKS2 Q9H2K2 1/20 0.34

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
SCHEMBL30057622 1.00 TDP2 (0.47) TDP2CASP3CASP7CASP9CASP6
SCHEMBL7476279 0.75 HPGD (0.41) PARP1ALDH1A1SMN1; SMN2
SCHEMBL11663189 0.73 PARP1 (0.42) PARP1ALDH1A1PDPK1CA12ALOX15
SCHEMBL2070779 0.71 NEK2 (0.36) PARP1CMA1AHRALDH1A1
SCHEMBL9379984 0.69 TDP2 (0.47) TDP2CASP3CASP7CASP9CASP6
SCHEMBL1374558 0.66 PRKCI (0.44) PARP1ALDH1A1PDPK1CA12ALOX15
SCHEMBL22904363 0.66 TDP2 (0.47) TDP2CASP3CASP7CASP9CASP6
SCHEMBL18010796 0.65 TDP2 (1.00) TDP2CASP3CASP7CASP9CASP6
SCHEMBL17786631 0.62 KDM4A (0.35) CASP7PARP1ALDH1A1PDPK1CA12
SCHEMBL636014 0.62 TDP2 (0.51) TDP2CASP3CASP7CASP9CASP6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3687543-A1 COMBINATION PHARMACEUTICAL AGENTS AS RSV INHIBITORS Enanta Pharmaceuticals, Inc. (US) 2020-08-05 EP claimed
WO-2019067864-A1 COMBINATION PHARMACEUTICAL AGENTS AS RSV INHIBITORS ENANTA PHARMACEUTICALS, INC. (US) 2019-04-04 WO claimed
EP-3036220-A1 ANTIVIRAL COMPOUNDS Alios Biopharma, Inc. (US) 2016-06-29 EP claimed
WO-2015026792-A1 ANTIVIRAL COMPOUNDS ALIOS BIOPHARMA, INC. (US) 2015-02-26 WO claimed
EP-1682547-B1 RSV POLYMERASE INHIBITORS BOEHRINGER INGELHEIM CA LTD (CA) 2012-10-24 EP disclosed
US-7323567-B2 RSV polymerase inhibitors BOEHRINGER INGELHEIM (CANADA) LTD. (CA) 2008-01-29 US disclosed
US-20070225317-A1 RSV POLYMERASE INHIBITORS SIMONEAU BRUNO 2007-09-27 US disclosed
US-20050239814-A1 RSV polymerase inhibitors BOEHRINGER INGELHEIM (CANADA) LTD. (CA) 2005-10-27 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-20070225317-A1 RSV POLYMERASE INHIBITORS POLR2E, POLR2H, POLR2A TDP2 3203/4885CASP3 4258/4885CASP7 4503/4885
US-20050239814-A1 RSV polymerase inhibitors POLR2E, POLR2H, POLR2A TDP2 3203/4885CASP3 4258/4885CASP7 4503/4885

“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.