SCHEMBL14764016

SCHEMBL14764016

Nc1cnn(CC2CCOC2)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCD O00767 1/20 0.43
JAK2 O60674 2/20 0.39
JAK1 P23458 2/20 0.39
JAK3 P52333 2/20 0.39
IKBKE Q14164 2/20 0.37
TBK1 Q9UHD2 2/20 0.37
CDC7 O00311 1/20 0.37
DAPK3 O43293 1/20 0.37
DYRK3 O43781 1/20 0.37
ROCK2 O75116 1/20 0.37
CDK1 P06493 1/20 0.37
RPS6KB1 P23443 1/20 0.37
CDK2 P24941 1/20 0.37
MAPK1 P28482 1/20 0.37
AKT1 P31749 1/20 0.37
CLK2 P49760 1/20 0.37
GSK3B P49841 1/20 0.37
CSNK2A1 P68400 1/20 0.37
CSNK1G2 P78368 1/20 0.37
CDK5 Q00535 1/20 0.37

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
SCHEMBL16593759 0.90 LRRK2 (0.41) SCDJAK2JAK1JAK3CDC7
SCHEMBL16975511 0.87 MAPT (0.39) SCDPIK3CAMAPTLMNAALDH1A1
SCHEMBL3259744 0.81 PIK3CD (0.46) PIK3CAMAPTLMNAALDH1A1PKM
SCHEMBL28284359 0.81 SCD (0.46) SCDJAK2JAK1JAK3IKBKE
SCHEMBL21285243 0.81 SCD (0.46) SCDJAK2JAK1JAK3IKBKE
SCHEMBL21258387 0.81 SCD (0.46) SCDJAK2JAK1JAK3IKBKE
SCHEMBL20688671 0.81 SCD (0.43) SCDJAK2JAK1JAK3IKBKE
SCHEMBL21227392 0.81 SCD (0.46) SCDJAK2JAK1JAK3IKBKE
SCHEMBL31313350 0.81 SCD (0.43) SCDJAK2JAK1JAK3IKBKE
Hydrochloric Acid SCHEMBL17003092 0.80 MAPT (0.45) PIK3CAMAPTLMNAALDH1A1PKM

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
EP-3686197-B1 2-SUBSTITUTED PYRAZOLE AMINO-4-SUBSTITUTED AMINO-5-PYRIMIDINE FORMAMIDE COMPOUND, COMPOSITION, AND APPLICATION THEREOF BEIJING SCITECH MQ PHARMACEUTICALS LTD (CN) 2023-06-21 EP disclosed
US-11344549-B2 2-substituted pyrazole amino-4-substituted amino-5-pyrimidine formamide compound, composition, and application thereof BEIJING SCITECH-MQ PHARMACEUTICALS LIMITED (CN) 2022-05-31 US disclosed
US-20210077489-A1 2-SUBSTITUTED PYRAZOLE AMINO-4-SUBSTITUTED AMINO-5-PYRIMIDINE FORMAMIDE COMPOUND, COMPOSITION, AND APPLICATION THEREOF BEIJING SCITECH-MQ PHARMACEUTICALS LIMITED (CN) 2021-03-18 US disclosed
EP-3686197-A1 2-SUBSTITUTED PYRAZOLE AMINO-4-SUBSTITUTED AMINO-5-PYRIMIDINE FORMAMIDE COMPOUND, COMPOSITION, AND APPLICATION THEREOF Beijing Scitech-MQ Pharmaceuticals Limited (CN) 2020-07-29 EP disclosed
EP-2753615-B1 BENZONITRILE DERIVATIVES AS KINASE INHIBITORS MERCK PATENT GMBH (DE) 2017-07-19 EP disclosed
US-8969335-B2 Benzonitrile derivatives as kinase inhibitors MERCK PATENT GMBH (DE) 2015-03-03 US disclosed
US-20140228340-A1 BENZONITRILE DERIVATIVES AS KINASE INHIBITORS MERCK PATENT GMBH (DE) 2014-08-14 US disclosed
WO-2013034238-A1 BENZONITRILE DERIVATIVES AS KINASE INHIBITORS MERCK PATENT GMBH (DE) 2013-03-14 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 (3 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-20210077489-A1 2-SUBSTITUTED PYRAZOLE AMINO-4-SUBSTITUTED AMINO-5-PYRIMIDINE FORMAMIDE COMPOUND, COMPOSITION, AND APPLICATION THEREOF JAK1, JAK3, JAK2 SCD 4765/4885JAK2 3/4885JAK1 1/4885
US-20140228340-A1 BENZONITRILE DERIVATIVES AS KINASE INHIBITORS TBK1, NFKBIA, IKBKG SCD 4186/4885JAK2 244/4885JAK1 120/4885
US-11344549-B2 2-substituted pyrazole amino-4-substituted amino-5-pyrimidine formamide compound, composition, and application thereof JAK1, JAK3, JAK2 SCD 4765/4885JAK2 3/4885JAK1 1/4885

“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.