SCHEMBL707784

SCHEMBL707784

COC(=O)c1cc([N+](=O)[O-])c(Cl)nc1C

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDGFRB P09619 1/20 0.49
FGFR1 P11362 1/20 0.49
PDGFRA P16234 1/20 0.49
FLT1 P17948 1/20 0.49
FGFR3 P22607 1/20 0.49
KDR P35968 1/20 0.49
KMT2A Q03164 3/20 0.44
MEN1 O00255 2/20 0.44
TDP1 Q9NUW8 2/20 0.43
SMN1; SMN2 Q16637 4/20 0.43
MAPT P10636 3/20 0.43
NFKB1 P19838 2/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
NFKB2 Q00653 1/20 0.43
RELA Q04206 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
GAA P10253 1/20 0.43
LMNA P02545 5/20 0.42
MAPK1 P28482 2/20 0.42

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
SCHEMBL31071396 0.90 PDGFRB (0.50) PDGFRBFGFR1PDGFRAFLT1FGFR3
SCHEMBL12489268 0.90 PDGFRB (0.50) PDGFRBFGFR1PDGFRAFLT1FGFR3
SCHEMBL15878442 0.85 PDGFRB (0.46) PDGFRBFGFR1PDGFRAFLT1FGFR3
SCHEMBL28630505 0.84 PDGFRB (0.45) PDGFRBFGFR1PDGFRAFLT1FGFR3
SCHEMBL20476371 0.84 PDGFRB (0.45) PDGFRBFGFR1PDGFRAFLT1FGFR3
SCHEMBL31482906 0.83 TSHR (0.45) KMT2AMEN1TDP1SMN1; SMN2NPC1
SCHEMBL19149059 0.83 TSHR (0.45) KMT2AMEN1TDP1SMN1; SMN2NPC1
SCHEMBL11980771 0.80 PDGFRB (0.44) PDGFRBFGFR1PDGFRAFLT1FGFR3
SCHEMBL16616207 0.79 SMN1; SMN2 (0.50) KMT2ASMN1; SMN2MAPTNFKB1NPC1
SCHEMBL3931981 0.78 NPC1 (0.49) SMN1; SMN2MAPTNFKB1NPC1RAB9A

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 PDGFRB 453/4885FGFR1 3422/4885PDGFRA 421/4885
US-20120122835-A1 Poly (ADP-Ribose) Polymerase (PARP) Inhibitors PARP1, PARP3, PARP2 PDGFRB 453/4885FGFR1 3422/4885PDGFRA 421/4885
US-20110158989-A1 Poly (ADP-Ribose) Polymerase (PARP) INHIBITORS PARP1, PARP3, PARP2 PDGFRB 453/4885FGFR1 3422/4885PDGFRA 421/4885
US-20150031652-A1 POLY (ADP-RIBOSE) POLYMERASE (PARP) INHIBITORS PARP1, PARP3, PARP2 PDGFRB 453/4885FGFR1 3422/4885PDGFRA 421/4885
US-20130274239-A1 POLY (ADP-RIBOSE) POLYMERASE (PARP) INHIBITORS PARP1, PARP3, PARP2 PDGFRB 453/4885FGFR1 3422/4885PDGFRA 421/4885

“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.