SCHEMBL4479482

SCHEMBL4479482

COc1ccc2c(c1OC)CCC2n1cc(C#N)c2c(C)cc(C)nc21

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.38
CYP11B2 P19099 4/20 0.38
MAPT P10636 2/20 0.34
F3 P13726 2/20 0.33
CYP3A4 P08684 1/20 0.33
SIGMAR1 Q99720 1/20 0.33
CYP11B1 P15538 1/20 0.33
DRD2 P14416 1/20 0.33
DRD1 P21728 1/20 0.33
DRD5 P21918 1/20 0.33
DRD3 P35462 1/20 0.33
TSHR P16473 2/20 0.33
LMNA P02545 1/20 0.33
MAOB P27338 1/20 0.32
NPC1 O15118 1/20 0.32
S1PR1 P21453 2/20 0.32
CRHR1 P34998 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
SCHEMBL4465193 0.95 PARP1 (0.44) PARP1CYP11B2MAPTF3CYP3A4
SCHEMBL4494294 0.78 PARP1 (0.37) PARP1CYP11B2MAPTTSHRNPC1
SCHEMBL4480923 0.78 P2RX7 (0.38) CYP11B2MAPTCYP11B1LMNAMAOB
SCHEMBL4475899 0.74 CMA1 (0.35) PARP1TSHRLMNANPC1S1PR1
SCHEMBL4475908 0.74 CMA1 (0.35) PARP1TSHRLMNANPC1S1PR1
SCHEMBL4485481 0.74 CYP11B2 (0.36) CYP11B2MAOB
SCHEMBL4484398 0.74 CYP11B2 (0.36) CYP11B2MAOB
SCHEMBL4492080 0.74 CYP11B2 (0.36) CYP11B2MAOB
SCHEMBL4481889 0.74 PARP1 (0.42) PARP1CYP11B2TSHRLMNANPC1
SCHEMBL4482520 0.71 TRPV1 (0.37) PARP1TSHR

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 797/4885MAPT 4742/4885

“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.