SCHEMBL1977604

SCHEMBL1977604

Nc1ncc(I)c(NC2CCCC2)n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 2/20 0.43
CDK2 P24941 1/20 0.43
KMT2A Q03164 1/20 0.42
CHUK O15111 1/20 0.41
JAK1 P23458 1/20 0.40
TYK2 P29597 1/20 0.40
NUDT1 P36639 1/20 0.40
KDM4E B2RXH2 2/20 0.39
HSD17B10 Q99714 1/20 0.39
ULK1 O75385 1/20 0.38
GAA P10253 1/20 0.37
CSNK2A1 P68400 1/20 0.36
MAP4K4 O95819 1/20 0.36
EGFR P00533 1/20 0.36
MAP3K12 Q12852 1/20 0.36
CDC7 O00311 1/20 0.36
DBF4 Q9UBU7 1/20 0.36
LMNA P02545 1/20 0.36
HTT P42858 1/20 0.36
PAK1 Q13153 1/20 0.36

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
SCHEMBL12691706 0.86 JAK1 (0.43) CHUKJAK1TYK2ULK1CSNK2A1
SCHEMBL12691579 0.86 JAK1 (0.43) CHUKJAK1TYK2ULK1CSNK2A1
SCHEMBL1976571 0.83 JAK1 (0.39) CDK2JAK1TYK2NUDT1CSNK2A1
SCHEMBL12556630 0.80 JAK1 (0.59) HPGDSCDK2KMT2ACHUKJAK1
SCHEMBL20458080 0.80 KMT2A (0.65) HPGDSCDK2KMT2AKDM4EHSD17B10
SCHEMBL8206063 0.80 KMT2A (0.49) HPGDSCDK2KMT2ACHUKJAK1
SCHEMBL19174514 0.79 KMT2A (0.68) HPGDSCDK2KMT2ACHUKJAK1
SCHEMBL19244047 0.79 KMT2A (0.68) HPGDSCDK2KMT2AKDM4EHSD17B10
SCHEMBL31403169 0.79 JAK1 (0.57) HPGDSCDK2KMT2ACHUKJAK1
SCHEMBL28151137 0.77 BCL6 (0.47) HPGDSCDK2KMT2ACHUKJAK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8980903-B2 Fused pyridine, pyrimidine and triazine compounds as cell cycle inhibitors AMGEN INC. (US) 2015-03-17 US disclosed
US-8980903-B2 Fused pyridine, pyrimidine and triazine compounds as cell cycle inhibitors AMGEN INC. (US) 2015-03-17 US disclosed
US-8980903-B2 Fused pyridine, pyrimidine and triazine compounds as cell cycle inhibitors AMGEN INC. (US) 2015-03-17 US disclosed
US-20140350244-A1 FUSED PYRIDINE, PYRIMIDINE AND TRIAZINE COMPOUNDS AS CELL CYCLE INHIBITORS AMGEN INC (US) 2014-11-27 US disclosed
US-20140350244-A1 FUSED PYRIDINE, PYRIMIDINE AND TRIAZINE COMPOUNDS AS CELL CYCLE INHIBITORS AMGEN INC (US) 2014-11-27 US disclosed
US-20140350244-A1 FUSED PYRIDINE, PYRIMIDINE AND TRIAZINE COMPOUNDS AS CELL CYCLE INHIBITORS AMGEN INC (US) 2014-11-27 US disclosed
US-8841312-B2 Fused pyridine, pyrimidine and triazine compounds as cell cycle inhibitors AMGEN INC. (US) 2014-09-23 US disclosed
US-8841312-B2 Fused pyridine, pyrimidine and triazine compounds as cell cycle inhibitors AMGEN INC. (US) 2014-09-23 US disclosed
US-8841312-B2 Fused pyridine, pyrimidine and triazine compounds as cell cycle inhibitors AMGEN INC. (US) 2014-09-23 US disclosed
US-20110142796-A1 Fused Pyridine, Pyrimidine and Triazine Compounds as Cell Cycle Inhibitors AMGEN INC (US) 2011-06-16 US disclosed
US-20110142796-A1 Fused Pyridine, Pyrimidine and Triazine Compounds as Cell Cycle Inhibitors AMGEN INC (US) 2011-06-16 US disclosed
US-20110142796-A1 Fused Pyridine, Pyrimidine and Triazine Compounds as Cell Cycle Inhibitors AMGEN INC (US) 2011-06-16 US disclosed
CN-101945867-A Fused pyridine, pyrimidine and triazine compounds as cell cycle inhibitors AMGEN INC 2011-01-12 CN disclosed
EP-2231656-A1 FUSED PYRIDINE, PYRIMIDINE AND TRIAZINE COMPOUNDS AS CELL CYCLE INHIBITORS Amgen Inc. (US) 2010-09-29 EP disclosed
WO-2009085185-A1 FUSED PYRIDINE, PYRIMIDINE AND TRIAZINE COMPOUNDS AS CELL CYCLE INHIBITORS AMGEN INC. (US) 2009-07-09 WO disclosed
WO-2009085185-A1 FUSED PYRIDINE, PYRIMIDINE AND TRIAZINE COMPOUNDS AS CELL CYCLE INHIBITORS AMGEN INC. (US) 2009-07-09 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 (2 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-20140350244-A1 FUSED PYRIDINE, PYRIMIDINE AND TRIAZINE COMPOUNDS AS CELL CYCLE INHIBITORS CDK4, CDKL4, CDK2 HPGDS 927/4885CDK2 3/4885KMT2A 1210/4885
US-20110142796-A1 Fused Pyridine, Pyrimidine and Triazine Compounds as Cell Cycle Inhibitors CDK4, CDKL4, CDK2 HPGDS 927/4885CDK2 3/4885KMT2A 1210/4885

“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.