SCHEMBL1259640

SCHEMBL1259640

CC1=C(c2ccc(F)cc2)C(=O)NCC1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PARP10 Q53GL7 3/20 0.44
PARP1 P09874 2/20 0.44
RIPK3 Q9Y572 9/20 0.41
PTGS1 P23219 2/20 0.41
PARP11 Q9NR21 2/20 0.40
GRM5 P41594 1/20 0.40
MAPKAPK2 P49137 1/20 0.40
RAB9A P51151 1/20 0.40
ALDH1A1 P00352 1/20 0.39
GAA P10253 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
PTGS2 P35354 1/20 0.39
GABRG2 P18507 1/20 0.38
GABRB3 P28472 1/20 0.38
GABRA5 P31644 1/20 0.38

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
SCHEMBL1024205 0.74 PTGS1 (0.54) PTGS1ALDH1A1PTGS2
SCHEMBL6110112 0.69 CDC7 (0.72) RIPK3MAPKAPK2
SCHEMBL8167145 0.67 PARP10 (0.76) PARP10PARP1PARP11GRM5GABRG2
SCHEMBL797294 0.67 PARP10 (0.76) PARP10PARP1PARP11GRM5MAPKAPK2
SCHEMBL1020755 0.67 PTGS1 (0.35) PTGS1RAB9AALDH1A1PTGS2
SCHEMBL1020757 0.67 PTGS1 (0.35) PTGS1RAB9AALDH1A1PTGS2
SCHEMBL4750221 0.66 RIPK3 (0.45) PARP10PARP1RIPK3PARP11GRM5
SCHEMBL17847644 0.65 BUB1 (0.49) PARP10PARP1RIPK3MAPKAPK2
SCHEMBL17847610 0.65 MAPKAPK2 (0.45) PARP10PARP1RIPK3PARP11GRM5
SCHEMBL11083302 0.64 PTGS1 (0.57) PTGS1PTGS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8445509-B2 Fused heterocyclic derivatives and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-05-21 US disclosed
US-8445509-B2 Fused heterocyclic derivatives and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-05-21 US disclosed
US-8445509-B2 Fused heterocyclic derivatives and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-05-21 US disclosed
US-20110046169-A1 FUSED HETEROCYCLIC DERIVATIVES AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-02-24 US disclosed
US-20110046169-A1 FUSED HETEROCYCLIC DERIVATIVES AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-02-24 US disclosed
US-20110046169-A1 FUSED HETEROCYCLIC DERIVATIVES AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-02-24 US disclosed
WO-2009136663-A1 FUSED HETEROCYCLIC DERIVATIVES AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-11-12 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-20110046169-A1 FUSED HETEROCYCLIC DERIVATIVES AND USE THEREOF ABL1, MAP4K2, MAP3K20 PARP10 1271/4885PARP1 2003/4885RIPK3 504/4885

“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.