SCHEMBL27238331

SCHEMBL27238331

COc1nc(N2CC[C@@H](N(C)C)C2)c([N+](=O)[O-])cc1NC(C)=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
WDR5 P61964 1/20 0.43
PLK1 P53350 3/20 0.41
MAPT P10636 5/20 0.39
BCL6 P41182 1/20 0.39
MAPK1 P28482 1/20 0.39
TDP1 Q9NUW8 1/20 0.38
CSNK2A2 P19784 1/20 0.38
CSNK2B P67870 1/20 0.38
CSNK2A1 P68400 1/20 0.38
NPSR1 Q6W5P4 2/20 0.37
OPRK1 P41145 2/20 0.37
JAK3 P52333 4/20 0.37
JAK2 O60674 3/20 0.36
JAK1 P23458 1/20 0.36
GALR2 O43603 1/20 0.35
MITF O75030 1/20 0.35
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
POLB P06746 1/20 0.35
HSP90AA1 P07900 1/20 0.35

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
SCHEMBL29133298 1.00 WDR5 (0.43) WDR5PLK1MAPTBCL6MAPK1
SCHEMBL29133284 0.87 WDR5 (0.40) WDR5PLK1MAPTBCL6MAPK1
SCHEMBL29133283 0.87 WDR5 (0.40) WDR5PLK1MAPTBCL6MAPK1
SCHEMBL24251673 0.82 ALDH1A1 (0.44) MAPTMAPK1TDP1NPSR1OPRK1
SCHEMBL27238154 0.82 JAK3 (0.44) WDR5PLK1MAPTTDP1OPRK1
SCHEMBL29133293 0.82 JAK3 (0.44) WDR5PLK1MAPTTDP1OPRK1
SCHEMBL28973006 0.80 ALDH1A1 (0.45) MAPTMAPK1ALDH1A1LMNAPOLB
SCHEMBL27238138 0.77 MAPT (0.36) MAPTNPSR1GALR2MITFALDH1A1
SCHEMBL27238175 0.77 MAPT (0.36) MAPTNPSR1GALR2MITFALDH1A1
SCHEMBL30018543 0.76 PLK1 (0.41) PLK1MAPTMAPK1TDP1OPRK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240327402-A1 PYRIMIDINE OR PYRIDINE DERIVATIVE, PREPARATION METHOD THEREFOR, AND APPLICATION THEREOF IN PHARMACY ABBISKO THERAPEUTICS CO., LTD. (CN) 2024-10-03 US disclosed
CN-115836064-B Triazine derivative with EGFR (epidermal growth factor receptor) inhibition activity as well as preparation method and application thereof 上海和誉生物医药科技有限公司 2024-08-27 CN disclosed
EP-4382511-A1 PYRIMIDINE OR PYRIDINE DERIVATIVE, PREPARATION METHOD THEREFOR, AND APPLICATION THEREOF IN PHARMACY Abbisko Therapeutics Co., Ltd. (CN) 2024-06-12 EP disclosed
CN-115836064-A Triazine derivative with EGFR (epidermal growth factor receptor) inhibitory activity and preparation method and application thereof 上海和誉生物医药科技有限公司 2023-03-21 CN disclosed
WO-2022033455-A1 TRIAZINE DERIVATIVE HAVING EGFR INHIBITORY ACTIVITY, PREPARATION METHOD THEREFOR AND USE THEREOF 上海和誉生物医药科技有限公司 2022-02-17 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 (1 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-20240327402-A1 PYRIMIDINE OR PYRIDINE DERIVATIVE, PREPARATION METHOD THEREFOR, AND APPLICATION THEREOF IN PHARMACY WEE1, WEE2, EGFR WDR5 1596/4885PLK1 650/4885MAPT 3517/4885

“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.