SCHEMBL17623629

SCHEMBL17623629

O=C(NCCCNc1nc(Cl)ncc1Cl)c1ccncc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
STK17B O94768 1/20 0.58
STK17A Q9UEE5 1/20 0.58
NAAA Q02083 1/20 0.48
CYP1A2 P05177 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
CFTR P13569 1/20 0.46
ALDH1A1 P00352 1/20 0.45
KMT2A Q03164 2/20 0.45
TSHR P16473 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
JAK1 P23458 2/20 0.43
BLK P51451 2/20 0.43
JAK3 P52333 2/20 0.43
NPC1 O15118 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
JAK2 O60674 1/20 0.43
FLT1 P17948 1/20 0.43
FLT4 P35916 1/20 0.43
TBK1 Q9UHD2 1/20 0.43

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
SCHEMBL17623686 0.89 STK17B (0.59) STK17BSTK17ANAAAALDH1A1KMT2A
SCHEMBL17623516 0.88 STK17B (0.58) STK17BSTK17ACYP1A2CYP2C19KMT2A
SCHEMBL17623510 0.87 STK17B (0.57) STK17BSTK17AKMT2AJAK1BLK
SCHEMBL19160033 0.87 STK17B (0.60) STK17BSTK17AALDH1A1KMT2AJAK1
SCHEMBL17623685 0.87 STK17B (0.60) STK17BSTK17AALDH1A1KMT2AL3MBTL1
SCHEMBL17623633 0.87 STK17B (0.57) STK17BSTK17AKMT2AJAK1BLK
SCHEMBL17623680 0.85 STK17B (0.57) STK17BSTK17AKMT2AJAK1BLK
SCHEMBL19160295 0.84 STK17B (0.54) STK17BSTK17AKMT2AJAK1BLK
SCHEMBL19160503 0.84 STK17B (0.56) STK17BSTK17AKMT2AJAK1BLK
SCHEMBL17623585 0.84 JAK1 (0.55) STK17BSTK17ACFTRJAK1BLK

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 59/4885NAAA 2788/4885
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 59/4885NAAA 2788/4885

“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.