SCHEMBL2486593

SCHEMBL2486593

CN1C(=O)C2(CC2)c2cc(NC(=O)C(F)(F)F)c([N+](=O)[O-])cc21

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDK1 Q15118 2/20 0.35
PDK2 Q15119 2/20 0.35
PDK3 Q15120 2/20 0.35
PDK4 Q16654 2/20 0.35
TP53 P04637 1/20 0.34
ABCC9 O60706 1/20 0.34
ABCC8 Q09428 1/20 0.34
KCNJ11 Q14654 1/20 0.34
KCNJ8 Q15842 1/20 0.34
AR P10275 2/20 0.33
STAT3 P40763 1/20 0.33
KDM4E B2RXH2 1/20 0.33
MPI P34949 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
OPRM1 P35372 1/20 0.32
OPRL1 P41146 1/20 0.32
KMT2A Q03164 3/20 0.32
MEN1 O00255 2/20 0.32
IP6K1 Q92551 1/20 0.32
GAA P10253 2/20 0.32

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
SCHEMBL2487015 0.84 TP53 (0.36) TP53STAT3OPRL1KMT2AMEN1
SCHEMBL2486349 0.75 SMN1; SMN2 (0.49) OPRM1OPRL1IP6K1GAASMN1; SMN2
SCHEMBL2486439 0.74 TDP1 (0.58) MPITDP1OPRM1OPRL1KMT2A
SCHEMBL5563212 0.72 RECQL (0.42) TP53KDM4EMPITDP1KMT2A
SCHEMBL2554351 0.70 RECQL (0.52) PDK1PDK2PDK3PDK4TP53
SCHEMBL2490045 0.70 KMT2A (0.42) TP53KDM4EMPITDP1KMT2A
SCHEMBL9834883 0.68 PGR (0.40) PDK1PDK2PDK3PDK4ABCC9
SCHEMBL8902955 0.68 AR (0.47) PDK1PDK2PDK3PDK4ABCC9
SCHEMBL31601892 0.68 AR (0.47) PDK1PDK2PDK3PDK4ABCC9
SCHEMBL10696897 0.67 L3MBTL1 (0.51) KDM4EKMT2AMEN1GAASMN1; SMN2

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
EP-1756112-B1 PYRROLOBENZIMIDAZOLONES AND THEIR USE AS ANTIPROLIFERATIVE AGENTS BOEHRINGER INGELHEIM INT (DE) 2011-10-26 EP disclosed
US-7714010-B2 Pyrrolobenzimidazolones and their use as anti-proliferative agents BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-05-11 US 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 PDK1 59/4885PDK2 137/4885PDK3 142/4885

“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.