SCHEMBL2489108

SCHEMBL2489108

CC1(C)C(=O)Nc2cc3c(cc21)NC(c1ccnc2ccccc12)N3

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.44
TP53 P04637 1/20 0.44
MAPT P10636 1/20 0.44
RAB9A P51151 1/20 0.44
PTK2B Q14289 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
PDK2 Q15119 1/20 0.38
PDK4 Q16654 1/20 0.38
CHRNB2 P17787 2/20 0.38
CHRNB4 P30926 2/20 0.38
CHRNA3 P32297 2/20 0.38
CHRNA4 P43681 2/20 0.38
ADRA2A P08913 1/20 0.38
ADRA2C P18825 1/20 0.38
CHRNA7 P36544 1/20 0.38
AR P10275 1/20 0.38
PDE3B Q13370 3/20 0.37
PDE3A Q14432 3/20 0.37
PDE4A P27815 2/20 0.37
PDE4B Q07343 2/20 0.37

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
SCHEMBL10557820 0.76 GAA (0.48) TP53MAPTPDK2PDK4AR
SCHEMBL9835825 0.76 PDK2 (0.50) NPC1MAPTPDK2PDK4PDE3B
SCHEMBL2488937 0.75 PDK2 (0.39) PDK2PDK4PDE3BPDE3APDE4A
SCHEMBL10373593 0.75 KMT2A (0.44) MAPTRAB9APDK2PDK4PDE3B
SCHEMBL9831453 0.74 ATAD2 (0.38) PDK2PDK4PDE3BPDE3APDE4A
SCHEMBL9834837 0.74 PDE3B (0.40) NPC1MAPTRAB9APDK2PDK4
SCHEMBL10373625 0.73 ALDH1A1 (0.49) NPC1MAPTSMN1; SMN2PDK2PDK4
SCHEMBL9832061 0.73 PDE3B (0.49) PDK2PDK4PDE3BPDE3APDE4A
SCHEMBL9832230 0.72 PGR (0.39) MAPTSMN1; SMN2PDK2PDK4PDE3B
Water SCHEMBL10470996 0.72 PDE3B (0.48) 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 4 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
EP-1756112-B1 PYRROLOBENZIMIDAZOLONES AND THEIR USE AS ANTIPROLIFERATIVE AGENTS BOEHRINGER INGELHEIM INT (DE) 2011-10-26 EP disclosed
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 NPC1 2360/4885TP53 45/4885MAPT 2325/4885

“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.