SCHEMBL707783

SCHEMBL707783

COC(=O)c1cnc(Cl)c([N+](=O)[O-])c1C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.40
KMT2A Q03164 5/20 0.39
MEN1 O00255 4/20 0.39
MAPT P10636 3/20 0.38
POLB P06746 3/20 0.38
MAPK1 P28482 2/20 0.38
ALDH1A1 P00352 2/20 0.38
PDGFRB P09619 1/20 0.37
FGFR1 P11362 1/20 0.37
PDGFRA P16234 1/20 0.37
FLT1 P17948 1/20 0.37
FGFR3 P22607 1/20 0.37
KDR P35968 1/20 0.37
LMNA P02545 2/20 0.37
HTT P42858 1/20 0.37
COMT P21964 1/20 0.37
RECQL P46063 1/20 0.37
TDP1 Q9NUW8 2/20 0.36
DCTPP1 Q9H773 1/20 0.35
GAA P10253 1/20 0.35

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
SCHEMBL15878444 0.88 MAPT (0.42) SMN1; SMN2KMT2AMEN1MAPTPOLB
SCHEMBL4718816 0.87 SMN1; SMN2 (0.41) SMN1; SMN2KMT2AMEN1MAPTPOLB
SCHEMBL27314724 0.86 ALDH1A1 (0.49) SMN1; SMN2KMT2AMEN1MAPTPOLB
SCHEMBL14066135 0.85 MAPT (0.44) SMN1; SMN2KMT2AMEN1MAPTPOLB
SCHEMBL31523457 0.84 MAPT (0.39) SMN1; SMN2KMT2AMEN1MAPTPOLB
SCHEMBL16563790 0.78 ATR (0.49) SMN1; SMN2KMT2AMEN1MAPTPOLB
SCHEMBL305861 0.76 MEN1 (0.49) SMN1; SMN2KMT2AMEN1MAPTPOLB
SCHEMBL29784427 0.75 MAPT (0.38) SMN1; SMN2MAPTMAPK1ALDH1A1LMNA
SCHEMBL27185691 0.75 MAPT (0.38) SMN1; SMN2MAPTMAPK1ALDH1A1LMNA
SCHEMBL30618280 0.75 OPRK1 (0.50) SMN1; SMN2KMT2AMEN1MAPTPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9187497-B2 Substituted pyrido[3,2-e]pyrrolo[1,2-a]pyrazines as inhibitors of poly(ADP-ribose)polymerase (PARP) TAKEDA PHAMACEUTICAL COMPANY LIMITED (JP) 2015-11-17 US disclosed
US-20150031652-A1 POLY (ADP-RIBOSE) POLYMERASE (PARP) INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-01-29 US disclosed
US-8822470-B2 Substituted pyrido[2,3-b]pyrazines TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-09-02 US disclosed
US-20130274239-A1 POLY (ADP-RIBOSE) POLYMERASE (PARP) INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED 2013-10-17 US disclosed
US-8450323-B2 Substituted derivatives of pyrido[3,2-e][1,4]thiazino[4,3-a]pyrazine and pyrido[3,2-e][1,4]oxazino[4,3-a]pyrazine TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-05-28 US disclosed
US-20120122835-A1 Poly (ADP-Ribose) Polymerase (PARP) Inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-05-17 US disclosed
US-8124606-B2 Substituted 7,8,9,10-tetrahydro-5H-dipyrido[1,2-a:3′,2′-e]pyrazin-6(6aH)-ones TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-02-28 US disclosed
US-20110158989-A1 Poly (ADP-Ribose) Polymerase (PARP) INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-06-30 US disclosed
US-7928105-B2 Substituted 6a,7,8,9-tetrahydropyrido[3,2-e]pyrrolo[1,2-a]pyrazin-6(5H)-ones TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-04-19 US disclosed
US-20100190763-A1 Poly (ADP-Ribose) Polymerase (PARP) Inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-07-29 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 (5 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-20100190763-A1 Poly (ADP-Ribose) Polymerase (PARP) Inhibitors PARP1, PARP3, PARP2 SMN1; SMN2 1693/4885KMT2A 1299/4885MEN1 3211/4885
US-20120122835-A1 Poly (ADP-Ribose) Polymerase (PARP) Inhibitors PARP1, PARP3, PARP2 SMN1; SMN2 1693/4885KMT2A 1299/4885MEN1 3211/4885
US-20110158989-A1 Poly (ADP-Ribose) Polymerase (PARP) INHIBITORS PARP1, PARP3, PARP2 SMN1; SMN2 1693/4885KMT2A 1299/4885MEN1 3211/4885
US-20150031652-A1 POLY (ADP-RIBOSE) POLYMERASE (PARP) INHIBITORS PARP1, PARP3, PARP2 SMN1; SMN2 1693/4885KMT2A 1299/4885MEN1 3211/4885
US-20130274239-A1 POLY (ADP-RIBOSE) POLYMERASE (PARP) INHIBITORS PARP1, PARP3, PARP2 SMN1; SMN2 1693/4885KMT2A 1299/4885MEN1 3211/4885

“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.