SCHEMBL12714533

SCHEMBL12714533

Nc1cccc2c1C(=O)N1C[C@H](O)C[C@@H]1C(=O)N2

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CRBN Q96SW2 9/20 0.44
DDB1 Q16531 6/20 0.41
TNF P01375 2/20 0.41
IL1B P01584 2/20 0.41
IKZF1 Q13422 2/20 0.41
IKZF3 Q9UKT9 2/20 0.41
TBXA2R P21731 1/20 0.41
BRD4 O60885 1/20 0.37
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
KDM4E B2RXH2 3/20 0.35
ALDH1A1 P00352 2/20 0.35
GAA P10253 1/20 0.35
MAPT P10636 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.33
TMEM97 Q5BJF2 3/20 0.31
HTR2B P41595 2/20 0.31
HTR3E A5X5Y0 1/20 0.31
HTR3B O95264 1/20 0.31
HTR3A P46098 1/20 0.31

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
SCHEMBL12715398 0.87 CRBN (0.43) CRBNDDB1TNFIL1BIKZF1
SCHEMBL7265416 0.85 CES1 (0.40) CRBNDDB1MEN1KMT2AKDM4E
SCHEMBL7968240 0.79 MEN1 (0.43) CRBNDDB1IKZF3MEN1KMT2A
SCHEMBL7271109 0.79 MEN1 (0.43) CRBNDDB1IKZF3MEN1KMT2A
SCHEMBL7270276 0.76 ALDH1A1 (0.58) CRBNDDB1TNFIL1BIKZF1
SCHEMBL7980412 0.75 KDM4E (0.56) BRD4MEN1KMT2AKDM4EALDH1A1
SCHEMBL7981338 0.75 KDM4E (0.56) BRD4MEN1KMT2AKDM4EALDH1A1
SCHEMBL7968441 0.75 KDM4E (0.56) BRD4MEN1KMT2AKDM4EALDH1A1
SCHEMBL1121875 0.73 NPC1 (0.36) MEN1KMT2AKDM4EALDH1A1MAPT
SCHEMBL1121876 0.73 NPC1 (0.36) MEN1KMT2AKDM4EALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110086842-A1 Pyrimidines as PLK inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-04-14 US disclosed
US-20110086842-A1 Pyrimidines as PLK inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-04-14 US disclosed
US-20090163465-A1 Pyrimidines as PLK inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-06-25 US disclosed
US-20090163465-A1 Pyrimidines as PLK inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-06-25 US disclosed
US-20090149438-A1 Pyrimidines as PLK inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-06-11 US disclosed
US-20090149438-A1 Pyrimidines as PLK inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-06-11 US disclosed
US-7521457-B2 Pyrimidines as PLK inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-04-21 US disclosed
US-7521457-B2 Pyrimidines as PLK inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-04-21 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 (3 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-20090163465-A1 Pyrimidines as PLK inhibitors PLK2, PLK3, TYMP CRBN 3420/4885DDB1 1311/4885TNF 3362/4885
US-20110086842-A1 Pyrimidines as PLK inhibitors PLK2, PLK3, TYMP CRBN 3420/4885DDB1 1311/4885TNF 3362/4885
US-20090149438-A1 Pyrimidines as PLK inhibitors PLK2, PLK3, TYMP CRBN 3420/4885DDB1 1311/4885TNF 3362/4885

“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.