SCHEMBL6451499

SCHEMBL6451499

CC1(C)C(=O)Nc2cc3[nH]c(-c4cc5ccccc5[nH]4)nc3cc21

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 1/20 0.56
PDE4B Q07343 1/20 0.56
PDE4C Q08493 1/20 0.56
PDE4D Q08499 1/20 0.56
PDE3B Q13370 1/20 0.56
PDE3A Q14432 1/20 0.56
AURKA O14965 2/20 0.52
AURKB Q96GD4 2/20 0.52
ESR1 P03372 4/20 0.50
KDR P35968 4/20 0.40
PDGFRB P09619 2/20 0.40
FGFR1 P11362 2/20 0.40
PDK2 Q15119 1/20 0.39
PDK4 Q16654 1/20 0.39
CHEK1 O14757 1/20 0.39
RAB9A P51151 3/20 0.36
NPC1 O15118 2/20 0.36
BRD4 O60885 3/20 0.35
CREBBP Q92793 2/20 0.35
KDM4E B2RXH2 2/20 0.34

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
SCHEMBL2490037 0.84 PDE4A (0.46) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL10375588 0.83 PDE4A (0.71) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL10569087 0.82 PDE3B (0.57) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL10373592 0.79 PDE4A (0.56) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL9559315 0.78 PDE3B (0.40) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL10557813 0.78 PDE4A (0.53) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL5192052 0.78 AURKA (0.55) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL2488936 0.78 PDE4A (0.58) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL9380164 0.78 ESR1 (0.47) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL10373624 0.77 PDE4A (0.54) PDE4APDE4BPDE4CPDE4DPDE3B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050261350-A1 Pyrrolobenzimidazolones and their use as anti-proliferative agents BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-11-24 US claimed
EP-1598353-A1 Pyrrolobenzimidazolones and their use as antiproliferative agents Boehringer Ingelheim International GmbH (DE) 2005-11-23 EP claimed
US-4863945-A CARDIOVASCULAR DISORDERS BOEHRINGER MANNHEIM GMBH (DE) 1989-09-05 US claimed
US-20050261350-A1 Pyrrolobenzimidazolones and their use as anti-proliferative agents BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-11-24 US disclosed
US-4863945-A CARDIOVASCULAR DISORDERS BOEHRINGER MANNHEIM GMBH (DE) 1989-09-05 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 (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-20050261350-A1 Pyrrolobenzimidazolones and their use as anti-proliferative agents MKI67, CCNI, CCNA1 PDE4A 2848/4885PDE4B 3075/4885PDE4C 3273/4885

“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.