SCHEMBL17623633

SCHEMBL17623633

O=C(NCCCNc1nc(Cl)ncc1Cl)c1ccc(F)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
STK17B O94768 2/20 0.57
STK17A Q9UEE5 2/20 0.57
JAK1 P23458 3/20 0.55
BLK P51451 3/20 0.55
JAK3 P52333 3/20 0.55
TBK1 Q9UHD2 3/20 0.55
JAK2 O60674 2/20 0.55
FLT1 P17948 2/20 0.55
FLT4 P35916 2/20 0.55
KMT2A Q03164 2/20 0.46
MEN1 O00255 1/20 0.46
ITK Q08881 1/20 0.46
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
POLB P06746 3/20 0.45
BCHE P06276 1/20 0.43
ACHE P22303 1/20 0.43
HTT P42858 2/20 0.42
SIRT5 Q9NXA8 1/20 0.42
MAPT P10636 1/20 0.42

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
SCHEMBL17623516 0.89 STK17B (0.58) STK17BSTK17AJAK1BLKJAK3
SCHEMBL17623510 0.88 STK17B (0.57) STK17BSTK17AJAK1BLKJAK3
SCHEMBL17623634 0.88 TBK1 (0.47) STK17BSTK17AJAK1BLKJAK3
SCHEMBL19160033 0.88 STK17B (0.60) STK17BSTK17AJAK1BLKJAK3
SCHEMBL17623685 0.88 STK17B (0.60) STK17BSTK17AJAK1BLKJAK3
SCHEMBL17623686 0.88 STK17B (0.59) STK17BSTK17AJAK1BLKJAK3
SCHEMBL19160295 0.87 STK17B (0.54) STK17BSTK17AJAK1BLKJAK3
SCHEMBL17623629 0.87 STK17B (0.58) STK17BSTK17AJAK1BLKJAK3
SCHEMBL17623680 0.86 STK17B (0.57) STK17BSTK17AJAK1BLKJAK3
SCHEMBL19160503 0.85 STK17B (0.56) STK17BSTK17AJAK1BLKJAK3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3196194-B1 PYRIMIDINE DERIVATIVES USEFUL AS SELECTIVE JAK3 AND/OR JAK1 INHIBITORS SHENZHEN CHIPSCREEN BIOSCIENCES LTD (CN) 2019-08-07 EP disclosed
US-10011571-B2 Preparation method for aromatic heterocyclic compound used as selective JAK3 and/or JAK1 kinase inhibitor and application of aromatic heterocyclic compound SHENZHEN CHIPSCREEN BIOSCIENCES, LTD. (CN) 2018-07-03 US disclosed
US-10011571-B2 Preparation method for aromatic heterocyclic compound used as selective JAK3 and/or JAK1 kinase inhibitor and application of aromatic heterocyclic compound SHENZHEN CHIPSCREEN BIOSCIENCES, LTD. (CN) 2018-07-03 US disclosed
US-20170253566-A1 PREPARATION METHOD FOR AROMATIC HETEROCYCLIC COMPOUND USED AS SELECTIVE JAK3 AND/OR JAK1 KINASE INHIBITOR AND APPLICATION OF AROMATIC HETEROCYCLIC COMPOUND SHENZHEN CHIPSCREEN BIOSCIENCES, LTD. (CN) 2017-09-07 US disclosed
US-20170253566-A1 PREPARATION METHOD FOR AROMATIC HETEROCYCLIC COMPOUND USED AS SELECTIVE JAK3 AND/OR JAK1 KINASE INHIBITOR AND APPLICATION OF AROMATIC HETEROCYCLIC COMPOUND SHENZHEN CHIPSCREEN BIOSCIENCES, LTD. (CN) 2017-09-07 US disclosed
EP-3196194-A1 PREPARATION METHOD FOR AROMATIC HETEROCYCLIC COMPOUND USED AS SELECTIVE JAK3 AND/OR JAK1 KINASE INHIBITOR AND APPLICATION OF AROMATIC HETEROCYCLIC COMPOUND Shenzhen Chipscreen Biosciences, Ltd. (CN) 2017-07-26 EP disclosed
WO-2016041472-A1 PREPARATION METHOD FOR AROMATIC HETEROCYCLIC COMPOUND USED AS SELECTIVE JAK3 AND/OR JAK1 KINASE INHIBITOR AND APPLICATION OF AROMATIC HETEROCYCLIC COMPOUND 深圳微芯生物科技有限责任公司 2016-03-24 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-10011571-B2 Preparation method for aromatic heterocyclic compound used as selective JAK3 and/or JAK1 kinase inhibitor and application of aromatic heterocyclic compound JAK3, JAK1, JAK2 STK17B 124/4885STK17A 59/4885JAK1 2/4885
US-20170253566-A1 PREPARATION METHOD FOR AROMATIC HETEROCYCLIC COMPOUND USED AS SELECTIVE JAK3 AND/OR JAK1 KINASE INHIBITOR AND APPLICATION OF AROMATIC HETEROCYCLIC COMPOUND JAK3, JAK1, JAK2 STK17B 124/4885STK17A 59/4885JAK1 2/4885

“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.