SCHEMBL22919201

SCHEMBL22919201

N#Cc1ccc(N2CC3(CCNCC3)C2)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 6/20 0.64
CYP2D6 P10635 8/20 0.61
USP2 O75604 7/20 0.61
ALDH1A1 P00352 7/20 0.61
CYP1A2 P05177 6/20 0.61
CYP3A4 P08684 6/20 0.61
HSD17B10 Q99714 5/20 0.61
TP53 P04637 4/20 0.61
HPGD P15428 4/20 0.61
SMN1; SMN2 Q16637 3/20 0.61
MAPK1 P28482 3/20 0.61
HIF1A Q16665 1/20 0.49
KCNH2 Q12809 1/20 0.48
CYP2C19 P33261 3/20 0.47
CYP2C9 P11712 3/20 0.47
KDM4E B2RXH2 1/20 0.46
CHRNA10 Q9GZZ6 1/20 0.40
CHRNA9 Q9UGM1 1/20 0.40
DRD2 P14416 1/20 0.39
DRD3 P35462 1/20 0.39

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
SCHEMBL18357559 0.90 TSHR (0.51) TSHRCYP2D6USP2ALDH1A1CYP1A2
SCHEMBL21393004 0.89 CYP2D6 (0.55) TSHRCYP2D6USP2ALDH1A1CYP1A2
SCHEMBL1779898 0.85 CYP2D6 (0.65) TSHRCYP2D6USP2ALDH1A1CYP1A2
SCHEMBL18357436 0.84 TP53 (0.47) TSHRCYP2D6USP2ALDH1A1CYP1A2
SCHEMBL22914774 0.79 KCNH2 (0.54) TSHRCYP2D6USP2ALDH1A1CYP1A2
SCHEMBL2819190 0.79 USP2 (0.53) TSHRCYP2D6USP2ALDH1A1CYP1A2
SCHEMBL22914757 0.79 TSHR (0.50) TSHRCYP2D6USP2ALDH1A1CYP1A2
SCHEMBL19139673 0.78 TSHR (1.00) TSHRCYP2D6USP2ALDH1A1CYP1A2
SCHEMBL22922220 0.78 KCNH2 (0.60) TSHRCYP2D6USP2ALDH1A1CYP1A2
SCHEMBL22914820 0.77 KDM4E (0.47) TSHRTP53KCNH2KDM4ECHRNA10

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 9 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-11918575-B2 PZA and cytochrome Bc1 inhibitor combination treatment Janssen Sciences Ireland Unlimited Company (IE) 2024-03-05 US disclosed
US-11918575-B2 PZA and cytochrome Bc1 inhibitor combination treatment Janssen Sciences Ireland Unlimited Company (IE) 2024-03-05 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-11224596-B2 PZA and cytochrome bc1 inhibitor combination treatment Janssen Sciences Ireland Unlimited Company (IE) 2022-01-18 US disclosed
US-20210024495-A1 NOVEL PYRIDAZINES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2021-01-28 US 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-11224596-B2 PZA and cytochrome bc1 inhibitor combination treatment CYC1, MT-ND1, MT-CO1 TSHR 4004/4885CYP2D6 185/4885USP2 2120/4885
US-20210024495-A1 NOVEL PYRIDAZINES ENPP2, PLPBP, PRDX6 TSHR 868/4885CYP2D6 3729/4885USP2 1421/4885
US-11918575-B2 PZA and cytochrome Bc1 inhibitor combination treatment CYC1, MT-ND1, MT-CO1 TSHR 4004/4885CYP2D6 185/4885USP2 2120/4885

“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.