SCHEMBL18890254

SCHEMBL18890254

O=C(O)N1CC[C@@H](Nc2ccc(Cl)nn2)C1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CCNK O75909 5/20 0.42
CDK12 Q9NYV4 5/20 0.42
LMNA P02545 1/20 0.41
HTT P42858 1/20 0.41
SPR P35270 1/20 0.40
GLS O94925 1/20 0.39
ENPP2 Q13822 1/20 0.39
FAAH O00519 1/20 0.39
JAK3 P52333 3/20 0.38
ACHE P22303 1/20 0.38
BTK Q06187 2/20 0.38
NOS1 P29475 1/20 0.38
NOS2 P35228 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
IL1B P01584 1/20 0.38
NLRP3 Q96P20 1/20 0.38

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
SCHEMBL22655181 0.92 IL1B (0.43) CCNKCDK12LMNAHTTFAAH
SCHEMBL22655179 0.92 IL1B (0.43) CCNKCDK12LMNAHTTFAAH
SCHEMBL29017114 0.84 BTK (0.40) CCNKCDK12GLSENPP2JAK3
SCHEMBL29017118 0.84 BTK (0.40) CCNKCDK12GLSENPP2JAK3
SCHEMBL18890332 0.82 USP30 (0.50) HTTBTK
SCHEMBL22654897 0.82 JAK3 (0.38) CCNKCDK12LMNAHTTFAAH
SCHEMBL23523150 0.81 CHRM4 (0.38) LMNAHTTFAAHACHEMEN1
SCHEMBL23523148 0.81 CHRM4 (0.38) LMNAHTTFAAHACHEMEN1
SCHEMBL23523152 0.81 CHRM4 (0.38) LMNAHTTFAAHACHEMEN1
SCHEMBL29919576 0.81 CHRM4 (0.38) LMNAHTTFAAHACHEMEN1

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-108349967-B 1,3, 4-thiadiazole compounds and their use in the treatment of cancer 阿斯利康(瑞典)有限公司 2022-02-15 CN disclosed
CN-108349951-B Bispyridazine compound 阿斯利康(瑞典)有限公司 2020-11-13 CN disclosed
EP-3380468-B1 BIS-PYRIDAZINE COMPOUNDS AND THEIR USE IN TREATING CANCER ASTRAZENECA AB (SE) 2020-05-20 EP disclosed
US-10577354-B2 Bis-pyridazine compounds and their use in treating cancer CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2020-03-03 US disclosed
EP-3383871-B1 1,3,4-THIADIAZOLE COMPOUNDS AND THEIR USE IN TREATING CANCER ASTRAZENECA AB (SE) 2019-09-11 EP disclosed
US-20190169172-A1 bis-Pyridazine Compounds and Their Use in Treating Cancer ASTRAZENECA AB (SE) 2019-06-06 US disclosed
US-10196382-B2 bis-Pyridazine compounds and their use in treating cancer ASTRAZENECA AB (SE) 2019-02-05 US disclosed
EP-3380468-A1 BIS-PYRIDAZINE COMPOUNDS AND THEIR USE IN TREATING CANCER Astrazeneca AB (SE) 2018-10-03 EP disclosed
WO-2017089587-A1 BIS-PYRIDAZINE COMPOUNDS AND THEIR USE IN TREATING CANCER ASTRAZENECA AB (SE) 2017-06-01 WO disclosed
US-20170152244-A1 bis-Pyridazine Compounds and Their Use in Treating Cancer ASTRAZENECA AB (SE) 2017-06-01 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 (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-10196382-B2 bis-Pyridazine compounds and their use in treating cancer GLS2, GLS, GLUL CCNK 1439/4885CDK12 914/4885LMNA 4250/4885
US-10577354-B2 Bis-pyridazine compounds and their use in treating cancer GLS2, GLS, GLUL CCNK 1439/4885CDK12 914/4885LMNA 4250/4885
US-20190169172-A1 bis-Pyridazine Compounds and Their Use in Treating Cancer GLS2, GLS, GLUL CCNK 863/4885CDK12 571/4885LMNA 4046/4885
US-20170152244-A1 bis-Pyridazine Compounds and Their Use in Treating Cancer GLS2, GLS, GLUL CCNK 1439/4885CDK12 914/4885LMNA 4250/4885

“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.