SCHEMBL12749148

SCHEMBL12749148

COc1cc(NC2CCN(C)CC2)ccc1N

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.51
▸ EHMT2 Q96KQ7 7/20 0.43
▸ APP P05067 1/20 0.43
▸ FLT3 P36888 1/20 0.43
▸ NTRK3 Q16288 1/20 0.43
▸ NTRK2 Q16620 1/20 0.43
▸ BCL6 P41182 1/20 0.43
▸ QDPR P09417 1/20 0.43
▸ EHMT1 Q9H9B1 3/20 0.42
▸ CDK1 P06493 1/20 0.42
▸ NSD2 O96028 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ CYP3A4 P08684 1/20 0.41
▸ TSHR P16473 1/20 0.41
▸ HSD17B10 Q99714 1/20 0.41
▸ TDP1 Q9NUW8 1/20 0.41
▸ PABPC1 P11940 1/20 0.41

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
SCHEMBL29973250 1.00 POLB (0.51) POLBEHMT2APPFLT3NTRK3
SCHEMBL15283350 0.85 POLB (0.48) POLBEHMT2APPFLT3NTRK3
SCHEMBL10209371 0.84 POLB (0.53) POLBEHMT2FLT3NTRK3NTRK2
SCHEMBL15862172 0.83 POLB (0.51) POLBEHMT2APPFLT3NTRK3
SCHEMBL13803936 0.83 POLB (0.51) POLBEHMT2FLT3NTRK3NTRK2
SCHEMBL18970134 0.82 HTR4 (0.45) EHMT2CDK1NSD2ALDH1A1CYP3A4
SCHEMBL6154425 0.80 EHMT2 (0.50) POLBEHMT2FLT3NTRK3NTRK2
SCHEMBL14663500 0.80 POLB (0.51) POLBEHMT2APPFLT3NTRK3
SCHEMBL23479987 0.80 SIGMAR1 (0.42) POLBALDH1A1CYP3A4TSHRHSD17B10
SCHEMBL14180548 0.80 NSD2 (0.58) POLBNSD2CYP3A4

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 9 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
US-7371753-B2 Dihydropteridinones, processes for preparing them and their use as pharmaceutical compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-05-13 — — US disclosed
US-7371753-B2 Dihydropteridinones, processes for preparing them and their use as pharmaceutical compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-05-13 — — 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 POLB 175/4885EHMT2 3287/4885APP 2820/4885
US-20110086842-A1 Pyrimidines as PLK inhibitors PLK2, PLK3, TYMP POLB 175/4885EHMT2 3287/4885APP 2820/4885
US-20090149438-A1 Pyrimidines as PLK inhibitors PLK2, PLK3, TYMP POLB 175/4885EHMT2 3287/4885APP 2820/4885

“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.

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