SCHEMBL12749119

SCHEMBL12749119

Nc1cccc2c1C(=O)NC1(CCCC1)C(=O)N2

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ PDE7A Q13946 11/20 0.40
▸ MGAT2 Q10469 2/20 0.36
▸ CES1 P23141 1/20 0.36
▸ KDM4E B2RXH2 2/20 0.35
▸ MEN1 O00255 2/20 0.35
▸ MAPT P10636 2/20 0.35
▸ NR4A1 P22736 2/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ APAF1 O14727 1/20 0.35
▸ USP2 O75604 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ APP P05067 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ TSHR P16473 1/20 0.35
▸ SNCA P37840 1/20 0.35
▸ HTT P42858 1/20 0.35
▸ HSD17B10 Q99714 1/20 0.35
▸ PDE7B Q9NP56 1/20 0.33
▸ PTPRC P08575 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
SCHEMBL12748916 0.97 PDE7A (0.37) PDE7AMGAT2CES1KDM4EMEN1
SCHEMBL12749058 0.94 CES1 (0.38) PDE7AMGAT2CES1KDM4EMEN1
SCHEMBL13802638 0.85 PDE7A (0.44) PDE7AMGAT2CES1
SCHEMBL13757008 0.82 PDE7A (0.41) PDE7AMGAT2CES1
SCHEMBL13802645 0.78 PDPK1 (0.40) PDE7ACES1
SCHEMBL12749338 0.76 MOGAT2 (0.38) MGAT2CES1MEN1MAPTKMT2A
SCHEMBL1270125 0.74 CES1 (0.48) CES1MEN1MAPTKMT2AUSP2
SCHEMBL10758073 0.72 PDE7A (0.54) PDE7AKDM4EMEN1KMT2AALDH1A1
SCHEMBL5975593 0.71 CES1 (0.60) CES1MEN1MAPTKMT2APTPRC
SCHEMBL19225163 0.70 PDE7A (0.47) PDE7AMGAT2KDM4EMEN1KMT2A

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 PDE7A 1406/4885MGAT2 3320/4885CES1 703/4885
US-20110086842-A1 Pyrimidines as PLK inhibitors PLK2, PLK3, TYMP PDE7A 1406/4885MGAT2 3320/4885CES1 703/4885
US-20090149438-A1 Pyrimidines as PLK inhibitors PLK2, PLK3, TYMP PDE7A 1406/4885MGAT2 3320/4885CES1 703/4885

“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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