SCHEMBL20547239

SCHEMBL20547239

O=C(O)c1cn2nccc2s1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR35 Q9HC97 1/20 0.38
BCL2L1 Q07817 1/20 0.38
KDM4E B2RXH2 4/20 0.38
MKNK1 Q9BUB5 1/20 0.37
MKNK2 Q9HBH9 1/20 0.37
DAO P14920 5/20 0.35
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
ALOX15 P16050 1/20 0.33
TSHR P16473 1/20 0.33
ACMSD Q8TDX5 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
POLB P06746 1/20 0.33
RAB9A P51151 1/20 0.33
PLK4 O00444 1/20 0.33
AURKA O14965 1/20 0.33
DAPK3 O43293 1/20 0.33
CHEK2 O96017 1/20 0.33
CDK1 P06493 1/20 0.33
PIM1 P11309 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
SCHEMBL5047995 0.72
SCHEMBL3429520 0.69 DAO (0.38) GPR35BCL2L1KDM4EMKNK1MKNK2
SCHEMBL24853024 0.68
SCHEMBL2530102 0.63 PRKCI (0.38) KDM4EMKNK1RAB9ACDK2DYRK1A
SCHEMBL268708 0.62 HCAR2 (0.38) GPR35KDM4EMKNK1MKNK2DAO
SCHEMBL17065282 0.61 LMNA (0.46) KDM4EMKNK1MKNK2DAOMEN1
SCHEMBL4914330 0.60 TSHR (0.41) MKNK1MKNK2DAOTSHRRAB9A
SCHEMBL31278096 0.60 GSK3A (0.45) KDM4EMEN1KMT2ATDP1RAB9A
SCHEMBL70493 0.60 DAO (0.67) GPR35KDM4EMKNK1MKNK2DAO
SCHEMBL1815553 0.59 KDM4E (0.47) KDM4EMEN1KMT2AALOX15TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110536892-B Novel bicyclic pyrazole derivatives 拜耳动物保健有限责任公司 2023-05-12 CN disclosed
US-11130768-B2 Bicyclic pyrazole derivatives BAYER ANIMAL HEALTH GMBH (DE) 2021-09-28 US disclosed
US-20200190111-A1 NEW BICYCLIC PYRAZOLE DERIVATIVES BAYER ANIMAL HEALTH GMBH (DE) 2020-06-18 US disclosed
WO-2018197401-A1 NEW BICYCLIC PYRAZOLE DERIVATIVES BAYER ANIMAL HEALTH GMBH (DE) 2018-11-01 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-20200190111-A1 NEW BICYCLIC PYRAZOLE DERIVATIVES CYP1B1, QPCT, CYP4B1 GPR35 179/4885BCL2L1 3465/4885KDM4E 3928/4885
US-11130768-B2 Bicyclic pyrazole derivatives CYP1B1, CYP3A43, CYP3A5 GPR35 171/4885BCL2L1 3520/4885KDM4E 3843/4885

“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.