SCHEMBL1918299

SCHEMBL1918299

CC(=O)NCCNc1nc(Nc2ccc(Cl)c(Cl)c2)ncc1CN(C)C

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
STK17A Q9UEE5 10/20 0.52
STK17B O94768 7/20 0.52
CYP1A2 P05177 2/20 0.46
CYP2D6 P10635 2/20 0.46
CYP3A4 P08684 1/20 0.46
HDAC3 O15379 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC2 Q92769 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
BRD4 O60885 1/20 0.41
ALDH1A1 P00352 1/20 0.41
SLC2A1 P11166 1/20 0.41
GLP1R P43220 1/20 0.41
ALK Q9UM73 1/20 0.41
MEN1 O00255 1/20 0.40
POLB P06746 1/20 0.40
KMT2A Q03164 1/20 0.40
SYK P43405 1/20 0.40

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
SCHEMBL3286982 0.90 STK17A (0.55) STK17ASTK17BHDAC3HDAC1HDAC2
SCHEMBL3283290 0.87 STK17A (0.68) STK17ASTK17B
SCHEMBL1916401 0.86 STK17A (0.54) STK17ASTK17BHDAC3HDAC1HDAC2
SCHEMBL1917472 0.86 STK17A (0.53) STK17ASTK17BCYP1A2CYP3A4HDAC3
Hydrochloric Acid SCHEMBL1916676 0.84 STK17A (0.70) STK17ASTK17BHDAC3HDAC1HDAC2
SCHEMBL1917619 0.84 STK17A (0.58) STK17ASTK17BSYK
Hydrochloric Acid SCHEMBL1916478 0.83 STK17A (0.54) STK17ASTK17BHDAC3HDAC1HDAC2
SCHEMBL1916428 0.83 STK17A (0.54) STK17ASTK17BCYP1A2HDAC3HDAC1
SCHEMBL1916985 0.81 STK17A (0.53) STK17ASTK17BHDAC3HDAC1HDAC2
Hydrochloric Acid SCHEMBL1917719 0.81 STK17A (0.53) STK17ASTK17BHDAC3HDAC1HDAC2

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 STK17A 1083/4885STK17B 983/4885CYP1A2 416/4885
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 STK17A 2304/4885STK17B 2593/4885CYP1A2 224/4885
US-20100152167-A1 PYRIMIDINE DERIVATIVES TYMP, TYMS, DPYD STK17A 1083/4885STK17B 983/4885CYP1A2 416/4885

“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.