SCHEMBL6451500

SCHEMBL6451500

CC1(C)C(=O)Nc2cc3c(cc21)NC(c1cc2ccccc2[nH]1)N3

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 1/20 0.41
PDK4 Q16654 1/20 0.41
PDE3B Q13370 3/20 0.39
PDE3A Q14432 3/20 0.39
PDE4A P27815 2/20 0.39
PDE4B Q07343 2/20 0.39
PDE4C Q08493 2/20 0.39
PDE4D Q08499 2/20 0.39
ATAD2 Q6PL18 1/20 0.37
PGR P06401 7/20 0.36
BRD4 O60885 2/20 0.36
AURKA O14965 3/20 0.36
AURKB Q96GD4 3/20 0.36
CREBBP Q92793 1/20 0.34
DAO P14920 1/20 0.33
DDO Q99489 1/20 0.33

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
SCHEMBL9835825 0.78 PDK2 (0.50) PDK2PDK4PDE3BPDE3APDE4A
SCHEMBL10569091 0.76 PDK2 (0.41) PDK2PDK4PDE3BPDE3APDE4A
SCHEMBL10557820 0.74 GAA (0.48) PDK2PDK4
SCHEMBL2488937 0.73 PDK2 (0.39) PDK2PDK4PDE3BPDE3APDE4A
SCHEMBL10373593 0.73 KMT2A (0.44) PDK2PDK4PDE3BPDE3APDE4A
SCHEMBL9836092 0.72 ATAD2 (0.49) PDK2PDK4PDE3BPDE3APDE4A
SCHEMBL9835182 0.72 ATAD2 (0.49) PDK2PDK4PDE3BPDE3APDE4A
SCHEMBL10567240 0.71 ALDH1A1 (0.48) PDK2PDK4PDE3BPDE3APDE4A
SCHEMBL10373625 0.71 ALDH1A1 (0.49) PDK2PDK4ATAD2PGR
SCHEMBL9832061 0.70 PDE3B (0.49) PDK2PDK4PDE3BPDE3APDE4A

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 PDK2 137/4885PDK4 150/4885PDE3B 1848/4885

“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.