SCHEMBL17847964

SCHEMBL17847964

O=C(O)n1ncc2cc(Cl)ncc21

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR9 P51686 2/20 0.39
CHEK1 O14757 1/20 0.37
AURKA O14965 1/20 0.37
DAPK3 O43293 1/20 0.37
CSNK1A1 P48729 1/20 0.37
GSK3A P49840 1/20 0.37
LIMK1 P53667 1/20 0.37
IKBKE Q14164 1/20 0.37
MAPK14 Q16539 1/20 0.37
TAOK1 Q7L7X3 1/20 0.37
CLK4 Q9HAZ1 1/20 0.37
DYRK1B Q9Y463 1/20 0.37
KMO O15229 7/20 0.37
SLC22A12 Q96S37 2/20 0.37
KMT2A Q03164 1/20 0.35
NAPRT Q6XQN6 1/20 0.34
MAPT P10636 2/20 0.34
SHMT2 P34897 2/20 0.34
RAB9A P51151 2/20 0.34
MAPK1 P28482 1/20 0.33

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
SCHEMBL29545233 0.85 CHEK1 (0.54) CCR9CHEK1AURKADAPK3CSNK1A1
SCHEMBL600231 0.85 CHEK1 (0.54) CCR9CHEK1AURKADAPK3CSNK1A1
SCHEMBL27856881 0.81 CCR9 (0.38) CCR9CHEK1AURKADAPK3CSNK1A1
SCHEMBL17848033 0.79 CHEK1 (0.37) CHEK1AURKADAPK3CSNK1A1GSK3A
SCHEMBL17848025 0.77 ROCK2 (0.44) CCR9CHEK1AURKADAPK3CSNK1A1
SCHEMBL17847998 0.77 MAPK1 (0.53) CCR9CHEK1AURKADAPK3CSNK1A1
SCHEMBL18168026 0.73 CHEK1 (0.45) CHEK1AURKADAPK3CSNK1A1GSK3A
SCHEMBL20791823 0.73 SLC22A12 (0.38) CHEK1AURKADAPK3CSNK1A1GSK3A
SCHEMBL29804021 0.73 KMT2A (0.44) CHEK1AURKADAPK3CSNK1A1GSK3A
SCHEMBL19949052 0.72 KDM4E (0.33) KMOSLC22A12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118317950-A Sulfonamide compounds for the treatment of neurological disorders 拉里奥治疗有限公司 2024-07-09 CN disclosed
EP-3233858-B1 ERK INHIBITORS MERCK SHARP & DOHME (US) 2019-10-30 EP disclosed
EP-3510032-A1 PYRAZOLOPYRIDINE DERIVATIVES AS HPK1 MODULATORS AND USES THEREOF FOR THE TREATMENT OF CANCER Incyte Corporation (US) 2019-07-17 EP disclosed
WO-2018049200-A1 PYRAZOLOPYRIDINE DERIVATIVES AS HPK1 MODULATORS AND USES THEREOF FOR THE TREATMENT OF CANCER INCYTE CORPORATION (US) 2018-03-15 WO disclosed
US-9884048-B2 ERK inhibitors MERCK SHARP & DOHME CORP. (US) 2018-02-06 US disclosed
EP-3233858-A1 ERK INHIBITORS Merck Sharp & Dohme Corp. (US) 2017-10-25 EP disclosed
US-20170266167-A1 ERK INHIBITORS MERCK SHARP & DOHME CORP. (US) 2017-09-21 US disclosed
WO-2016100050-A1 ERK INHIBITORS MERCK SHARP & DOHME CORP. (US) 2016-06-23 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-20170266167-A1 ERK INHIBITORS MAPK1, MAPK3, MAPK6 CCR9 2285/4885CHEK1 501/4885AURKA 605/4885

“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.