SCHEMBL18890332

SCHEMBL18890332

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

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
USP30 Q70CQ3 7/20 0.50
ALDH1A1 P00352 2/20 0.50
NPC1 O15118 1/20 0.50
MAPT P10636 1/20 0.50
MAPK1 P28482 1/20 0.50
HTT P42858 1/20 0.50
RAB9A P51151 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
BRD4 O60885 1/20 0.47
BTK Q06187 2/20 0.46
PIK3CD O00329 1/20 0.44
CNR1 P21554 1/20 0.44
HDAC4 P56524 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
PARP1 P09874 1/20 0.43
JAK1 P23458 1/20 0.43
ADORA1 P30542 1/20 0.43
IDH1 O75874 1/20 0.43

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
SCHEMBL29566245 0.93 USP30 (0.48) USP30ALDH1A1NPC1MAPTMAPK1
SCHEMBL22671974 0.93 USP30 (0.48) USP30ALDH1A1NPC1MAPTMAPK1
SCHEMBL22797244 0.93 ALDH1A1 (0.58) ALDH1A1NPC1MAPTMAPK1HTT
SCHEMBL18291250 0.86 USP30 (0.50) USP30ALDH1A1NPC1MAPTMAPK1
SCHEMBL29565945 0.84 ALDH1A1 (0.39) USP30ALDH1A1NPC1MAPTMAPK1
SCHEMBL22672008 0.84 ALDH1A1 (0.39) USP30ALDH1A1NPC1MAPTMAPK1
SCHEMBL31057316 0.84 PARP1 (0.42) USP30ALDH1A1NPC1MAPTMAPK1
SCHEMBL23292407 0.84 USP30 (0.53) USP30ALDH1A1NPC1MAPTMAPK1
SCHEMBL23523331 0.84 NR1H2 (0.45) USP30ALDH1A1NPC1MAPTMAPK1
SCHEMBL23545108 0.84 NR1H2 (0.45) USP30ALDH1A1NPC1MAPTMAPK1

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-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
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
US-9938265-B2 1,3,4-thiadiazole compounds and their use in treating cancer ASTRAZENECA AB (SE) 2018-04-10 US 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
US-20170152254-A1 1,3,4-Thiadiazole 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 (5 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 USP30 3331/4885ALDH1A1 249/4885NPC1 4212/4885
US-10577354-B2 Bis-pyridazine compounds and their use in treating cancer GLS2, GLS, GLUL USP30 3331/4885ALDH1A1 249/4885NPC1 4212/4885
US-20190169172-A1 bis-Pyridazine Compounds and Their Use in Treating Cancer GLS2, GLS, GLUL USP30 3301/4885ALDH1A1 236/4885NPC1 4224/4885
US-20170152244-A1 bis-Pyridazine Compounds and Their Use in Treating Cancer GLS2, GLS, GLUL USP30 3331/4885ALDH1A1 249/4885NPC1 4212/4885
US-20170152254-A1 1,3,4-Thiadiazole Compounds and Their Use in Treating Cancer GLS2, GLS, GLUL USP30 3325/4885ALDH1A1 146/4885NPC1 3700/4885

“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.