Sugi Predict

Sugi Predict / Compounds / SCHEMBL12749409

SCHEMBL12749409

SCHEMBL12749409

CCC(=O)c1cnc(Cl)nc1Nc1cccc2c1C(=O)N(CC(F)F)C2

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PARP1 P09874 2/20 0.38
▸ NR1I2 O75469 1/20 0.36
▸ UGCG Q16739 1/20 0.36
▸ LMNA P02545 1/20 0.35
▸ HTT P42858 1/20 0.35
▸ PARP2 Q9UGN5 1/20 0.35
▸ SYK P43405 1/20 0.35
▸ POLB P06746 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ ALDH1A1 P00352 3/20 0.33
▸ MCL1 Q07820 1/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ MAPK10 P53779 1/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33
▸ ALOX15 P16050 1/20 0.33
▸ SRC P12931 1/20 0.33
▸ IRAK4 Q9NWZ3 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ USP2 O75604 1/20 0.33
▸ TP53 P04637 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
SCHEMBL12749337 0.91 PARP1 (0.39) PARP1NR1I2UGCGLMNAHTT
SCHEMBL12749129 0.79 ALDH1A1 (0.39) PARP1LMNAHTTPARP2TSHR
SCHEMBL375361 0.76 CCNA2 (0.37) PARP1NR1I2UGCGLMNAHTT
SCHEMBL22866097 0.73 ALDH1A1 (0.38) PARP1LMNAHTTPARP2POLB
SCHEMBL29607741 0.73 ALDH1A1 (0.38) PARP1LMNAHTTPARP2POLB
SCHEMBL12749387 0.71 SYK (0.33) SYK
SCHEMBL375741 0.71 LRRK2 (0.44) PARP1SYKMAPK1SRC
SCHEMBL12336995 0.69 PTK2 (0.41) PARP1
SCHEMBL4095444 0.69 ALK (0.39) MAPK1
SCHEMBL12311868 0.66 LRRK2 (0.42) MAPK1SRC

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 7 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-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 PARP1 125/4885NR1I2 1396/4885UGCG 3785/4885
US-20110086842-A1 Pyrimidines as PLK inhibitors PLK2, PLK3, TYMP PARP1 125/4885NR1I2 1396/4885UGCG 3785/4885
US-20090149438-A1 Pyrimidines as PLK inhibitors PLK2, PLK3, TYMP PARP1 125/4885NR1I2 1396/4885UGCG 3785/4885

“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.