SCHEMBL6455933

SCHEMBL6455933

CC1(C)C(=O)Nc2cc3[nH]c(Nc4cccnc4)nc3cc21

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 1/20 0.49
PDE4B Q07343 1/20 0.49
PDE4C Q08493 1/20 0.49
PDE4D Q08499 1/20 0.49
PDE3B Q13370 1/20 0.49
PDE3A Q14432 1/20 0.49
PNP P00491 1/20 0.42
AURKA O14965 1/20 0.41
AURKB Q96GD4 1/20 0.41
MARK3 P27448 7/20 0.39
MARK4 Q96L34 5/20 0.39
RIPK1 Q13546 1/20 0.38
LCK P06239 5/20 0.37
ABL1 P00519 1/20 0.36
HDAC11 Q96DB2 1/20 0.35

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 0.88 PDE4A (0.46) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL10558678 0.81 PNP (0.38) PNPRIPK1LCKABL1HDAC11
SCHEMBL9834410 0.81 PDE4A (0.46) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL10557685 0.79 KDM4E (0.49) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL9833102 0.76 PDE4A (0.49) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL10472431 0.75 PDE4A (0.48) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL10472429 0.75 PDE4A (0.48) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL2489471 0.74 PDE3B (0.48) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL9834995 0.74 PDE4A (0.55) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL9834452 0.73 AURKA (0.49) 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 3 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-20050261350-A1 Pyrrolobenzimidazolones and their use as anti-proliferative agents BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-11-24 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.