SCHEMBL12748916

SCHEMBL12748916

Nc1cccc2c1C(=O)NC1(CCC1)C(=O)N2

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE7A Q13946 6/20 0.37
▸ MGAT2 Q10469 2/20 0.36
▸ CES1 P23141 1/20 0.36
▸ KDM4E B2RXH2 3/20 0.32
▸ MEN1 O00255 3/20 0.32
▸ MAPT P10636 3/20 0.32
▸ KMT2A Q03164 3/20 0.32
▸ NR4A1 P22736 2/20 0.32
▸ APAF1 O14727 2/20 0.32
▸ ALDH1A1 P00352 2/20 0.32
▸ USP2 O75604 1/20 0.32
▸ APP P05067 1/20 0.32
▸ HPGD P15428 1/20 0.32
▸ TSHR P16473 1/20 0.32
▸ SNCA P37840 1/20 0.32
▸ HTT P42858 1/20 0.32
▸ HSD17B10 Q99714 1/20 0.32
▸ PTPRC P08575 1/20 0.31
▸ ADORA2A P29274 1/20 0.31
▸ GAA P10253 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
SCHEMBL12749119 0.97 PDE7A (0.40) PDE7AMGAT2CES1KDM4EMEN1
SCHEMBL12749058 0.94 CES1 (0.38) PDE7AMGAT2CES1KDM4EMEN1
SCHEMBL13757008 0.85 PDE7A (0.41) PDE7AMGAT2CES1
SCHEMBL13802638 0.82 PDE7A (0.44) PDE7AMGAT2CES1
SCHEMBL13802645 0.78 PDPK1 (0.40) PDE7ACES1
SCHEMBL12749338 0.76 MOGAT2 (0.38) MGAT2CES1MEN1MAPTKMT2A
SCHEMBL1270125 0.74 CES1 (0.48) CES1MEN1MAPTKMT2AUSP2
SCHEMBL19225163 0.73 PDE7A (0.47) PDE7AMGAT2KDM4EMEN1KMT2A
SCHEMBL5975593 0.71 CES1 (0.60) CES1MEN1MAPTKMT2APTPRC
SCHEMBL10758073 0.68 PDE7A (0.54) PDE7AKDM4EMEN1KMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1989198-B1 2,4-DIAMINOPYRIMIDINE DERIVATIVES FOR THE TREATMENT AND/OR PREVENTION OF CANCER, INFECTIONS, INFLAMMATORY AND AUTOIMMUNE DISORDERS BOEHRINGER INGELHEIM INT (DE) 2013-10-09 — — EP disclosed
US-20110086842-A1 Pyrimidines as PLK inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-04-14 — — US disclosed
US-7569561-B2 2,4-diaminopyrimidines useful for treating cell proliferation diseases BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-08-04 — — US disclosed
US-7569561-B2 2,4-diaminopyrimidines useful for treating cell proliferation diseases BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-08-04 — — 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-20070207999-A1 New Compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-09-06 — — US disclosed
US-20070207999-A1 New Compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-09-06 — — US disclosed
WO-2007096351-A1 2,4-DIAMINOPYRIMIDINE DERIVATIVES FOR THE TREATMENT AND/OR PREVENTION OF CANCER, INFECTIONS, INFLAMMATORY AND AUTOIMMUNE DISORDERS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-08-30 — — WO 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 (4 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
US-20070207999-A1 New Compounds CCNA1, MKI67, CCNT1 PDE7A 3687/4885MGAT2 2911/4885CES1 508/4885

“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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