SCHEMBL25330718

SCHEMBL25330718

N#Cc1c(OCC(F)F)ccnc1Cl

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
ALDH1A1 P00352 4/20 0.36
KDM4E B2RXH2 3/20 0.36
HPGD P15428 3/20 0.36
MAPT P10636 2/20 0.36
KMT2A Q03164 1/20 0.36
CASR P41180 3/20 0.34
ACACB O00763 1/20 0.34
GAA P10253 1/20 0.33
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
BCL6 P41182 4/20 0.32
HTR2A P28223 2/20 0.32
HTR2C P28335 2/20 0.32
HTR2B P41595 2/20 0.32
HCRTR1 O43613 1/20 0.31
HCRTR2 O43614 1/20 0.31
HTT P42858 1/20 0.31
ADRB2 P07550 1/20 0.31

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
SCHEMBL3432979 0.79 MAPK1 (0.42) MAPK1L3MBTL1ALDH1A1KDM4EHPGD
SCHEMBL3803812 0.76 MAPK1 (0.40) MAPK1L3MBTL1ALDH1A1KDM4EHPGD
SCHEMBL29530414 0.75 MAPK1 (0.59) MAPK1L3MBTL1ALDH1A1KDM4EHPGD
SCHEMBL14862285 0.75 CHRNB2 (0.43) MAPTKMT2ANPC1RAB9AHTR2A
SCHEMBL1313329 0.75 MAPK1 (0.59) MAPK1L3MBTL1ALDH1A1KDM4EHPGD
SCHEMBL5233239 0.74 MAPK1 (0.41) MAPK1L3MBTL1ALDH1A1KDM4EHPGD
SCHEMBL31328995 0.74 NPC1 (0.49) NPC1RAB9A
SCHEMBL22904175 0.70 KMT2A (0.51) MAPK1L3MBTL1ALDH1A1KDM4EHPGD
SCHEMBL5822489 0.70 NPC1 (0.54) MAPK1L3MBTL1ALDH1A1KDM4EHPGD
SCHEMBL5235543 0.70 KMO (0.39) MAPK1L3MBTL1ACACB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240182474-A1 SUBSTITUTED IMIDAZO [1,2-b] PYRIDAZINES AND [1, 2, 4] TRIAZOLO [ 4,3-b] PYRIDAZINES AS CAMKII INHIBITORS CARDURION PHARMACEUTICALS, INC. 2024-06-06 US disclosed
US-11795172-B2 Substituted imidazo[1,2-b]pyridazines and [1,2,4]triazolo[4,3-b]pyridazines as CaMKII inhibitors CARDURION PHARMACEUTICALS, INC. (US) 2023-10-24 US disclosed
CN-116940354-A Fused heteroaryl compounds and their use as CaMKII inhibitors 卡都瑞恩医药股份有限公司 2023-10-24 CN disclosed
EP-4216948-A1 FUSED HETEROARYL COMPOUNDS AND THEIR USE AS CAMKII INHIBITORS Cardurion Pharmaceuticals, Inc. (US) 2023-08-02 EP disclosed
US-20220098207-A1 FUSED HETEROARYL COMPOUNDS AND THEIR USE AS CAMKII INHIBITORS CARDURION PHARMACEUTICALS, INC. 2022-03-31 US disclosed
WO-2022067082-A1 FUSED HETEROARYL COMPOUNDS AND THEIR USE AS CAMKII INHIBITORS CARDURION PHARMACEUTICALS, LLC (US) 2022-03-31 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-20220098207-A1 FUSED HETEROARYL COMPOUNDS AND THEIR USE AS CAMKII INHIBITORS CAMK2B, CAMK2A, CAMK2G MAPK1 406/4885L3MBTL1 2203/4885ALDH1A1 2388/4885
US-20240182474-A1 SUBSTITUTED IMIDAZO [1,2-b] PYRIDAZINES AND [1, 2, 4] TRIAZOLO [ 4,3-b] PYRIDAZINES AS CAMKII INHIBITORS CAMK2B, RYR2, CAMK2A MAPK1 163/4885L3MBTL1 2456/4885ALDH1A1 1868/4885
US-11795172-B2 Substituted imidazo[1,2-b]pyridazines and [1,2,4]triazolo[4,3-b]pyridazines as CaMKII inhibitors CAMK2B, RYR2, CAMK2A MAPK1 163/4885L3MBTL1 2456/4885ALDH1A1 1868/4885

“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.