SCHEMBL6755665

SCHEMBL6755665

CC(=O)N1CCN(c2ccc(C#N)cc2)CC1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASP6 P55212 1/20 0.63
GFER P55789 1/20 0.63
MEN1 O00255 2/20 0.58
KMT2A Q03164 2/20 0.58
MAPT P10636 2/20 0.58
KDM4E B2RXH2 1/20 0.57
TP53 P04637 1/20 0.57
PANK3 Q9H999 1/20 0.56
EGLN2 Q96KS0 1/20 0.56
CTSS P25774 1/20 0.52
CTSK P43235 1/20 0.52
CYP2C9 P11712 2/20 0.51
CYP1A2 P05177 1/20 0.51
TSHR P16473 1/20 0.51
RORC P51449 2/20 0.50
TNF P01375 1/20 0.50
NOD2 Q9HC29 1/20 0.50
NOD1 Q9Y239 1/20 0.50
NPC1 O15118 1/20 0.50
RAB9A P51151 1/20 0.50

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
SCHEMBL22856767 0.91 CASP6 (0.54) CASP6GFERMEN1KMT2AMAPT
SCHEMBL1779457 0.85 KDM4E (0.59) MEN1KMT2AKDM4ETP53PANK3
SCHEMBL12947249 0.83 MAPT (0.53) MEN1KMT2AMAPTKDM4ETP53
SCHEMBL28712422 0.83 L3MBTL1 (0.66) MEN1KMT2AMAPTKDM4ETP53
SCHEMBL18701870 0.83 PANK3 (0.53) MEN1KMT2AMAPTKDM4ETP53
SCHEMBL22914818 0.82 ALDH1A1 (0.68) MEN1KMT2ACYP2C9CYP1A2TSHR
SCHEMBL2384959 0.82 KDM4E (0.80) KDM4ETP53PANK3ALDH1A1POLB
SCHEMBL19049593 0.81 DRD2 (0.59) CASP6GFEREGLN2CYP1A2TSHR
SCHEMBL22914742 0.81 CTSS (0.46) CASP6GFERMEN1KMT2AKDM4E
SCHEMBL15009898 0.80 MAPT (0.69) MAPTKDM4ETP53PANK3CTSS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112996513-B Novel pyridazines 勃林格殷格翰国际有限公司 2024-10-15 CN disclosed
EP-3356345-B1 HETEROARYL DERIVATIVES AS SEPIAPTERIN REDUCTASE INHIBITORS MAX PLANCK GESELLSCHAFT (DE) 2023-11-08 EP disclosed
EP-3873472-B1 NOVEL PYRIDAZINES BOEHRINGER INGELHEIM INT (DE) 2023-07-12 EP disclosed
US-20230022770-A1 NOVEL PYRIDAZINES BOEHRINGER INGELHEIM INT (DE) 2023-01-26 US disclosed
US-20230014173-A1 Antibacterial Compounds JANSSEN SCIENCES IRELAND UC (IE) 2023-01-19 US disclosed
US-11180472-B2 Antibacterial compounds JANSSEN SCIENCES IRELAND UC (IE) 2021-11-23 US disclosed
EP-3873472-A1 NOVEL PYRIDAZINES Boehringer Ingelheim International GmbH (DE) 2021-09-08 EP 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
US-20210024492-A1 NOVEL PYRIDAZINES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2021-01-28 US 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
US-20210024495-A1 NOVEL PYRIDAZINES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2021-01-28 US disclosed
US-20200239434-A1 ANTIBACTERIAL COMPOUNDS JANSSEN SCIENCES IRELAND UC (IE) 2020-07-30 US disclosed
US-20200131151-A1 NOVEL PYRIDAZINES BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2020-04-30 US disclosed
US-20200131151-A1 NOVEL PYRIDAZINES BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2020-04-30 US disclosed
US-10364232-B2 Antibacterial compounds JANSSEN SCIENCES IRELAND UC (IE) 2019-07-30 US disclosed
US-20180186768-A1 Antibacterial Compounds JANSSEN SCIENCES IRELAND UC (IE) 2018-07-05 US disclosed
US-20170174699-A1 COMPOUNDS FOR THE TREATMENT OF CANCER AND INFLAMMATORY DISEASE SHY Therapeutics LLC 2017-06-22 US disclosed
US-20170096435-A1 SEPIAPTERIN REDUCTASE INHIBITORS MAX-PLANCK-GESELLSCHAFT ZUR FOERDERUNG DER WISSENSCHAFTEN E.V. (DE) 2017-04-06 US disclosed
US-20040087798-A1 Novel amide compounds FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-05-06 US disclosed
EP-1264820-A1 NOVEL AMIDE COMPOUNDS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-12-11 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 (12 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-11180472-B2 Antibacterial compounds FDPS, SQOR, NDUFS3 CASP6 1026/4885GFER 2171/4885MEN1 2036/4885
US-20210024492-A1 NOVEL PYRIDAZINES ENPP2, PLPBP, PRDX6 CASP6 897/4885GFER 3589/4885MEN1 2373/4885
US-20210024495-A1 NOVEL PYRIDAZINES ENPP2, PLPBP, PRDX6 CASP6 897/4885GFER 3589/4885MEN1 2373/4885
US-20230022770-A1 NOVEL PYRIDAZINES ENPP2, PLPBP, PRDX6 CASP6 897/4885GFER 3589/4885MEN1 2373/4885
US-10364232-B2 Antibacterial compounds FDPS, SQOR, NDUFS3 CASP6 1026/4885GFER 2171/4885MEN1 2036/4885
US-20170096435-A1 SEPIAPTERIN REDUCTASE INHIBITORS SPR, QDPR, SRR CASP6 2346/4885GFER 104/4885MEN1 4876/4885
US-20180186768-A1 Antibacterial Compounds FDPS, SQOR, NDUFS3 CASP6 1026/4885GFER 2171/4885MEN1 2036/4885
US-20230014173-A1 Antibacterial Compounds FDPS, SQOR, NDUFS3 CASP6 1026/4885GFER 2171/4885MEN1 2036/4885
US-20200239434-A1 ANTIBACTERIAL COMPOUNDS FDPS, SQOR, NDUFS3 CASP6 1026/4885GFER 2171/4885MEN1 2036/4885
US-20200131151-A1 NOVEL PYRIDAZINES ENPP2, PLPBP, PRDX6 CASP6 897/4885GFER 3589/4885MEN1 2373/4885
US-20040087798-A1 Novel amide compounds H1-2, H1-0, H1-3 CASP6 4684/4885GFER 3693/4885MEN1 970/4885
US-20170174699-A1 COMPOUNDS FOR THE TREATMENT OF CANCER AND INFLAMMATORY DISEASE MAPK6, MAP3K6, MAPK4 CASP6 343/4885GFER 4595/4885MEN1 4080/4885

“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.