SCHEMBL8292016

SCHEMBL8292016

O=Cc1c(N2CCNCC2)n(-c2ccccc2)c2ncccc12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
REN P00797 10/20 0.51
FEN1 P39748 1/20 0.45
PLD1 Q13393 1/20 0.43
KDR P35968 1/20 0.43
HTR3E A5X5Y0 1/20 0.42
HTR3B O95264 1/20 0.42
ADRB1 P08588 1/20 0.42
HTR3A P46098 1/20 0.42
HTR3D Q70Z44 1/20 0.42
HTR3C Q8WXA8 1/20 0.42
SIGMAR1 Q99720 1/20 0.42
PDE4A P27815 1/20 0.42
PDE4B Q07343 1/20 0.42
PDE4C Q08493 1/20 0.42
PDE4D Q08499 1/20 0.42
ALDH1A1 P00352 2/20 0.41
TSHR P16473 1/20 0.41
CYP2C19 P33261 1/20 0.41
PDE1A P54750 1/20 0.39
PDE1B Q01064 1/20 0.39

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
SCHEMBL2340663 0.95 REN (0.48) RENFEN1PLD1KDRHTR3E
SCHEMBL2342396 0.90 CHRNB2 (0.48) RENPLD1ALDH1A1CYP1A2CYP3A4
Trifluoroacetic Acid SCHEMBL18614362 0.88 REN (0.46) RENFEN1
Trifluoroacetic Acid SCHEMBL29915210 0.88 REN (0.46) RENFEN1
Trifluoroacetic Acid SCHEMBL18614322 0.84 REN (0.42) RENALDH1A1CYP1A2CYP3A4
Trifluoroacetic Acid SCHEMBL29915171 0.84 REN (0.42) RENALDH1A1CYP1A2CYP3A4
SCHEMBL2340878 0.82 KDR (0.55) RENKDRHTR3EHTR3BADRB1
SCHEMBL8292277 0.81 KDR (0.54) RENKDRHTR3EHTR3BADRB1
SCHEMBL2345392 0.79 CDK4 (0.52) RENKDRHTR3EHTR3BADRB1
SCHEMBL30418024 0.79 CDK4 (0.52) RENKDRHTR3EHTR3BADRB1

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-8008491-B2 poly(adenosine 5'-diphosphate ribose) polymerase inhibitors such as 1-phenyl-2-(piperazin-1-yl)-1,3-dihydropyrrolo[2,3-b]pyridine-3-carboxaldehyde, used in the treatment and/or prevention central nervous system and cardiovascular disorders AVENTIS PHARMACEUTICALS, INC. (US) 2011-08-30 US disclosed
US-8008491-B2 poly(adenosine 5'-diphosphate ribose) polymerase inhibitors such as 1-phenyl-2-(piperazin-1-yl)-1,3-dihydropyrrolo[2,3-b]pyridine-3-carboxaldehyde, used in the treatment and/or prevention central nervous system and cardiovascular disorders AVENTIS PHARMACEUTICALS, INC. (US) 2011-08-30 US disclosed
US-20080255350-A1 SUBSTITUTED AZA-INDOLES AS INHIBITORS OF POLY(ADP-RIBOSE) POLYMERASE (PARP) AVENTIS PHARMACEUTICALS INC. (US) 2008-10-16 US disclosed
US-20080255350-A1 SUBSTITUTED AZA-INDOLES AS INHIBITORS OF POLY(ADP-RIBOSE) POLYMERASE (PARP) AVENTIS PHARMACEUTICALS INC. (US) 2008-10-16 US disclosed
US-7405300-B2 Substituted indoles as inhibitors of poly (ADP-ribose) polymerase (PARP) AVENTIS PHARMAVEUTICALS INC. (US) 2008-07-29 US disclosed
US-7405300-B2 Substituted indoles as inhibitors of poly (ADP-ribose) polymerase (PARP) AVENTIS PHARMAVEUTICALS INC. (US) 2008-07-29 US disclosed
WO-2005023246-A1 SUBSTITUTED INDOLES AS INHIBITORS OF POLY (ADP-RIBOSE) POLYMERASE (PARP) AVENTIS PHARMACEUTICALS INC. (US) 2005-03-17 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-20080255350-A1 SUBSTITUTED AZA-INDOLES AS INHIBITORS OF POLY(ADP-RIBOSE) POLYMERASE (PARP) PARP1, PARP11, PARP15 REN 1677/4885FEN1 98/4885PLD1 1800/4885

“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.