SCHEMBL4465193

SCHEMBL4465193

COc1ccc2c(c1OC)CCCC2n1cc(C#N)c2c(C)cc(C)nc21

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.44
CYP11B2 P19099 4/20 0.40
DRD1 P21728 3/20 0.35
F3 P13726 2/20 0.35
SIGMAR1 Q99720 2/20 0.35
DRD2 P14416 2/20 0.35
DRD5 P21918 2/20 0.35
DRD3 P35462 2/20 0.35
CYP3A4 P08684 1/20 0.35
LMNA P02545 2/20 0.34
TSHR P16473 1/20 0.34
MAPT P10636 2/20 0.34
NPC1 O15118 1/20 0.34
TP53 P04637 1/20 0.33
HTR2A P28223 1/20 0.32

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
SCHEMBL4479482 0.95 PARP1 (0.38) PARP1CYP11B2DRD1F3SIGMAR1
SCHEMBL4492080 0.79 CYP11B2 (0.36) CYP11B2
SCHEMBL4485481 0.79 CYP11B2 (0.36) CYP11B2
SCHEMBL4484398 0.79 CYP11B2 (0.36) CYP11B2
SCHEMBL4481889 0.79 PARP1 (0.42) PARP1CYP11B2LMNATSHRNPC1
SCHEMBL4474879 0.75 PARP1 (0.39) PARP1CYP11B2TSHRNPC1TP53
SCHEMBL4474885 0.75 PARP1 (0.39) PARP1CYP11B2TSHRNPC1TP53
SCHEMBL4480923 0.75 P2RX7 (0.38) CYP11B2LMNAMAPT
SCHEMBL4494294 0.74 PARP1 (0.37) PARP1CYP11B2TSHRMAPTNPC1
SCHEMBL4557463 0.71 PARP1 (0.37) PARP1TSHRMAPTNPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7582651-B2 Pyrrolopyridine derivative and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-09-01 US disclosed
US-20060167038-A1 Pyrrolopyridine derivative and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-07-27 US disclosed
EP-1535922-A1 PYRROLOPYRIDINE DERIVATIVE AND USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2005-06-01 EP 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-20060167038-A1 Pyrrolopyridine derivative and use thereof OPRD1, TRPV1, OPRM1 PARP1 2989/4885CYP11B2 797/4885DRD1 99/4885

“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.