SCHEMBL20548916

SCHEMBL20548916

CC(C)(C)OC(=O)N1C=C2C=CC(N)N=C2CC1

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 10/20 0.33
KDM1A O60341 1/20 0.33
NR1H2 P55055 1/20 0.33
ELANE P08246 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
ESR2 Q92731 1/20 0.31
GRM5 P41594 1/20 0.31

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
SCHEMBL29100795 0.78 ESR2 (0.34) GPR119NR1H2ELANEESR2GRM5
SCHEMBL28449477 0.72 USP2 (0.36) GPR119NR1H2ESR2GRM5
SCHEMBL31075189 0.69 NR1H2 (0.34) GPR119NR1H2ELANEMEN1KMT2A
SCHEMBL17481737 0.67 USP2 (0.41) GPR119NR1H2MEN1KMT2AESR2
SCHEMBL2980997 0.67 ESR2 (0.43) GPR119NR1H2MEN1KMT2AESR2
SCHEMBL28686795 0.67 ESR2 (0.34) GPR119NR1H2ELANEESR2GRM5
SCHEMBL28696148 0.66 NR1H2 (0.38) GPR119NR1H2ESR2GRM5
SCHEMBL20690515 0.66 ALDH1A1 (0.40) GPR119NR1H2MEN1KMT2AESR2
SCHEMBL17942084 0.65 GPR119 (0.39) GPR119NR1H2MEN1KMT2AESR2
SCHEMBL19827493 0.64 GPR119 (0.39) GPR119KDM1ANR1H2KMT2A

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-3398947-B1 NITROGEN-CONTAINING FUSED HETEROCYCLIC COMPOUND, AS WELL AS PREPARATION METHOD, INTERMEDIATE, COMPOSITION AND APPLICATION THEREOF SHANGHAI PHARMACEUTICALS HOLDING CO LTD (CN) 2024-08-28 EP disclosed
CN-106928219-B Nitrogen-containing fused heterocyclic compound, preparation method, intermediate, composition and application 上海医药集团股份有限公司 2021-08-20 CN disclosed
US-10988476-B2 Substituted pyrimidines as cyclin-dependent kinase inhibitors SHANGHAI PHARMACEUTICALS HOLDING CO., LTD. (CN) 2021-04-27 US disclosed
US-20200239470-A1 Substituted Pyrimidine Compound for Treating Cancer SHANGHAI PHARMACEUTICALS HOLDING CO LTD (CN) 2020-07-30 US disclosed
US-10662186-B2 Substituted pyrimidines as cyclin-dependent kinase inhibitors SHANGHAI PHARMACEUTICALS HOLDING CO., LTD. (CN) 2020-05-26 US disclosed
US-20190010153-A1 NITROGEN-CONTAINING FUSED HETEROCYCLIC COMPOUND, AS WELL AS PREPARATION METHOD, INTERMEDIATE, COMPOSITION AND APPLICATION THEREOF SHANGHAI PHARMACEUTICALS HOLDING CO., LTD. (CN) 2019-01-10 US disclosed
EP-3398947-A1 NITROGEN-CONTAINING FUSED HETEROCYCLIC COMPOUND, AS WELL AS PREPARATION METHOD, INTERMEDIATE, COMPOSITION AND APPLICATION THEREOF Shanghai Pharmaceuticals Holding Co., Ltd. (CN) 2018-11-07 EP 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 (4 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-20200239470-A1 Substituted Pyrimidine Compound for Treating Cancer DPYD, TYMP, TYMS GPR119 2709/4885KDM1A 2475/4885NR1H2 2978/4885
US-10662186-B2 Substituted pyrimidines as cyclin-dependent kinase inhibitors CDK6, CDK4, CCNI GPR119 2003/4885KDM1A 1977/4885NR1H2 1892/4885
US-20190010153-A1 NITROGEN-CONTAINING FUSED HETEROCYCLIC COMPOUND, AS WELL AS PREPARATION METHOD, INTERMEDIATE, COMPOSITION AND APPLICATION THEREOF CDK6, CDK4, CCNI GPR119 1799/4885KDM1A 1887/4885NR1H2 1228/4885
US-10988476-B2 Substituted pyrimidines as cyclin-dependent kinase inhibitors CDK1, CCNI, CDK2 GPR119 3611/4885KDM1A 836/4885NR1H2 3904/4885

“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.