SCHEMBL22914738

SCHEMBL22914738

CN1CC2(CC1=O)CN(c1ccc(C#N)cc1)C2

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.50
ITGAL P20701 1/20 0.42
KCNH2 Q12809 1/20 0.41
KDM4E B2RXH2 1/20 0.41
TP53 P04637 1/20 0.41
ELANE P08246 1/20 0.40
HRH3 Q9Y5N1 3/20 0.39
CHRNA10 Q9GZZ6 1/20 0.38
CHRNA9 Q9UGM1 1/20 0.38
CYP11B2 P19099 6/20 0.38
HTR7 P34969 3/20 0.37
CHEK1 O14757 1/20 0.36
TMEM97 Q5BJF2 1/20 0.36
CYP11B1 P15538 1/20 0.36

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
SCHEMBL18357659 0.80 POLB (0.49) POLBITGALKCNH2KDM4ETP53
SCHEMBL22914741 0.77 ENPP2 (0.40) CYP11B2TMEM97CYP11B1
SCHEMBL18357607 0.72 TP53 (0.45) POLBITGALKCNH2KDM4ETP53
SCHEMBL22914750 0.72 CYP2D6 (0.50) POLBKDM4ETP53
SCHEMBL18357436 0.71 TP53 (0.47) POLBKCNH2KDM4ETP53HRH3
SCHEMBL22919201 0.70 TSHR (0.64) POLBKCNH2KDM4ETP53CHRNA10
SCHEMBL25966709 0.70 ALDH1A1 (0.48) CYP11B2CYP11B1
SCHEMBL18357674 0.69 TP53 (0.49) POLBITGALKCNH2KDM4ETP53
SCHEMBL22922220 0.69 KCNH2 (0.60) KCNH2KDM4ETP53ELANEHRH3
SCHEMBL20345541 0.69 KDM4E (0.41) POLBITGALKCNH2KDM4ETP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118666853-A N-methyl N- (6- (methoxy) pyridazin-3-yl) amine derivatives for the treatment of inflammatory airway diseases or fibrotic diseases 勃林格殷格翰国际有限公司 2024-09-20 CN disclosed
CN-114206876-B N-methyl, N- (6- (methoxy) pyridazin-3-yl) amine derivatives as modulators of Autotaxin (ATX) for the treatment of inflammatory airway diseases or fibrotic diseases 勃林格殷格翰国际有限公司 2024-05-14 CN disclosed
CN-114206871-B 1- (6- (methoxy) pyridazin-3-yl) cyclopropane-1-carboxamide derivatives as modulators of Autotaxin (ATX) for the treatment of inflammatory airway diseases 勃林格殷格翰国际有限公司 2024-03-29 CN disclosed
US-20230022770-A1 NOVEL PYRIDAZINES BOEHRINGER INGELHEIM INT (DE) 2023-01-26 US disclosed
CN-114206871-A 1- (6- (methoxy) pyridazin-3-yl) cyclopropane-1-carboxamide derivatives as Autotaxin (ATX) modulators for the treatment of inflammatory airway diseases 勃林格殷格翰国际有限公司 2022-03-18 CN disclosed
CN-114206876-A N-methyl, N- (6- (methoxy) pyridazin-3-yl) amine derivatives as Autotaxin (ATX) modulators for the treatment of inflammatory airway diseases or fibrotic diseases 勃林格殷格翰国际有限公司 2022-03-18 CN disclosed
US-20210024495-A1 NOVEL PYRIDAZINES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2021-01-28 US disclosed
US-20210024492-A1 NOVEL PYRIDAZINES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2021-01-28 US disclosed
WO-2021013830-A1 N-METHYL, N-(6-(METHOXY)PYRIDAZIN-3-YL) AMINE DERIVATIVES AS AUTOTAXIN (ATX) MODULATORS FOR THE TREATMENT OF INFLAMMATORY AIRWAY OR FIBROTIC DISEASES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2021-01-28 WO disclosed
WO-2021013832-A1 1-(6-(METHOXY)PYRIDAZIN-3-YL)CYCLOPROPANE-1-CARBOXAMIDE DERIVATIVES AS AUTOTAXIN (ATX) MODULATORS FOR THE TREATMENT OF INFLAMMATORY AIRWAY DISEASES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2021-01-28 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-20210024492-A1 NOVEL PYRIDAZINES ENPP2, PLPBP, PRDX6 POLB 3603/4885ITGAL 3251/4885KCNH2 2990/4885
US-20210024495-A1 NOVEL PYRIDAZINES ENPP2, PLPBP, PRDX6 POLB 3603/4885ITGAL 3251/4885KCNH2 2990/4885
US-20230022770-A1 NOVEL PYRIDAZINES ENPP2, PLPBP, PRDX6 POLB 3603/4885ITGAL 3251/4885KCNH2 2990/4885

“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.