SCHEMBL1917090

SCHEMBL1917090

CN1CCN(c2ccc(Nc3ncc([N+](=O)[O-])c(N(C)C4CCC(O)CC4)n3)cc2)CC1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 3/20 0.54
PLK1 P53350 3/20 0.54
BRD4 O60885 4/20 0.51
ERBB3 P21860 1/20 0.49
SYK P43405 2/20 0.47
CDK4 P11802 7/20 0.46
CCND1 P24385 6/20 0.46
CCND2 P30279 4/20 0.46
CCND3 P30281 4/20 0.46
CDK6 Q00534 1/20 0.45
CCNE2 O96020 2/20 0.45
CCNA2 P20248 2/20 0.45
CCNE1 P24864 2/20 0.45
CDK2 P24941 2/20 0.45
CCNA1 P78396 2/20 0.45
PAK4 O96013 1/20 0.45
PAK1 Q13153 1/20 0.45
PKN1 Q16512 1/20 0.45
CDK1 P06493 2/20 0.44
IRAK4 Q9NWZ3 1/20 0.44

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
SCHEMBL1917086 1.00 EGFR (0.54) EGFRPLK1BRD4ERBB3SYK
SCHEMBL1916873 0.84 GSK3B (0.46) PLK1SYKCDK4CCND1AURKA
SCHEMBL1916584 0.82 AXL (0.48) EGFRPLK1BRD4CDK4CCND1
SCHEMBL1916948 0.79 JAK3 (0.44) EGFRPLK1BRD4SYKCDK4
SCHEMBL1916950 0.79 JAK3 (0.44) EGFRPLK1BRD4SYKCDK4
SCHEMBL1917742 0.77 SYK (0.45) EGFRPLK1SYKCDK2PAK4
SCHEMBL1917745 0.77 SYK (0.45) EGFRPLK1SYKCDK2PAK4
SCHEMBL14847406 0.77 EGFR (0.62) EGFRPLK1BRD4SYKCDK4
SCHEMBL1917075 0.77 KDR (0.42) PLK1SYKINSRKDR
SCHEMBL1917073 0.77 KDR (0.42) PLK1SYKINSRKDR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8420630-B2 Pyrimidine derivatives BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2013-04-16 US disclosed
EP-2090571-B1 Pyrimidine derivates, medicaments comprising them, their use and process of their preparation BOEHRINGER INGELHEIM PHARMA (DE) 2012-05-16 EP disclosed
EP-2332924-A1 Pyrimidine derivates, medicaments comprising them, their use and process of their preparation Boehringer Ingelheim Pharma GmbH & Co. KG (DE) 2011-06-15 EP disclosed
US-20100152167-A1 PYRIMIDINE DERIVATIVES BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2010-06-17 US disclosed
US-7709480-B2 Pyrimidine derivatives BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2010-05-04 US disclosed
EP-2090571-A1 Pyrimidine derivates, medicaments comprising them, their use and process of their preparation Boehringer Ingelheim Pharma GmbH & Co. KG (DE) 2009-08-19 EP disclosed
EP-1438053-B1 PYRIMIDINE DERIVATIVES, PHARMACEUTICAL AGENT CONTAINING SAID COMPOUNDS, USE AND METHOD FOR MAKING SAME BOEHRINGER INGELHEIM PHARMA (DE) 2008-09-10 EP disclosed
US-7173028-B2 Pyrimidine derivatives BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2007-02-06 US disclosed
US-20060100211-A1 Pyrimidine derivatives BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2006-05-11 US disclosed
US-20030171359-A1 Suitable for treatment of illnesses characterised by excessive or abnormal cell proliferation; viral, bacterial, fungal and/or parasitic infections, skin diseases, bone diseases, cardiovascular diseases BOEHRINGER INGELHEIM PHARMA KG (DE) 2003-09-11 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-20060100211-A1 Pyrimidine derivatives TYMP, TYMS, DPYD EGFR 824/4885PLK1 391/4885BRD4 2169/4885
US-20030171359-A1 Suitable for treatment of illnesses characterised by excessive or abnormal cell proliferation; viral, bacterial, fungal and/or parasitic infections, skin diseases, bone diseases, cardiovascular diseases COL1A1, MKI67, INSR EGFR 478/4885PLK1 930/4885BRD4 2420/4885
US-20100152167-A1 PYRIMIDINE DERIVATIVES TYMP, TYMS, DPYD EGFR 824/4885PLK1 391/4885BRD4 2169/4885

“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.