SCHEMBL3688009

SCHEMBL3688009

CC(C)(C)OC(=O)NCc1ccc(F)c(O)c1

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.48
GRM2 Q14416 1/20 0.47
GAA P10253 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.46
NAMPT P43490 2/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
KDM4A O75164 1/20 0.44
TSHR P16473 1/20 0.43
GLS O94925 1/20 0.42
ERCC1 P07992 1/20 0.42
ERCC4 Q92889 1/20 0.42

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
SCHEMBL29369357 0.89 HDAC1 (0.51) HDAC1GRM2GAAL3MBTL1NAMPT
SCHEMBL24999627 0.88 GRM2 (0.49) HDAC1GRM2GAAL3MBTL1NAMPT
SCHEMBL29769069 0.88 GRM2 (0.49) HDAC1GRM2GAAL3MBTL1NAMPT
SCHEMBL5749285 0.87 ERCC1 (0.56) HDAC1GAAL3MBTL1NAMPTCA1
SCHEMBL16020300 0.86 MMP13 (0.54) HDAC1GRM2GAAL3MBTL1NAMPT
SCHEMBL51488 0.84 GRM2 (0.47) HDAC1GRM2GAAL3MBTL1NAMPT
SCHEMBL13976111 0.84 GRM2 (0.47) HDAC1GRM2GAAL3MBTL1NAMPT
SCHEMBL21090329 0.84 GRM2 (0.49) HDAC1GRM2GAAL3MBTL1NAMPT
SCHEMBL30457513 0.84 GRM2 (0.47) HDAC1GRM2GAAL3MBTL1NAMPT
SCHEMBL31096887 0.84 GRM2 (0.49) HDAC1GRM2GAAL3MBTL1NAMPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112805062-B Imidazo [1,2-b ] pyridazines as Trk inhibitors 博善人工智能生物科技有限公司 2024-06-04 CN disclosed
EP-3840832-B1 IMIDAZO[1,2-B]PYRIDAZINES AS TRK INHIBITORS BENEVOLENTAI BIO LTD (GB) 2023-10-11 EP disclosed
US-20230149398-A1 TOPICAL PHARMACEUTICAL COMPOSITIONS COMPRISING IMIDAZO[1,2-B]PYRIDAZINE COMPOUNDS BENEVOLENTAI BIO LIMITED (GB) 2023-05-18 US disclosed
US-20230149398-A1 TOPICAL PHARMACEUTICAL COMPOSITIONS COMPRISING IMIDAZO[1,2-B]PYRIDAZINE COMPOUNDS BENEVOLENTAI BIO LIMITED (GB) 2023-05-18 US disclosed
US-20230149398-A1 TOPICAL PHARMACEUTICAL COMPOSITIONS COMPRISING IMIDAZO[1,2-B]PYRIDAZINE COMPOUNDS BENEVOLENTAI BIO LIMITED (GB) 2023-05-18 US disclosed
EP-4093404-A1 TOPICAL PHARMACEUTICAL COMPOSITIONS COMPRISING IMIDAZO[1,2-B]PYRIDAZINE COMPOUNDS BenevolentAI Bio Limited (GB) 2022-11-30 EP disclosed
US-20210253572-A1 IMIDAZO[1,2-B]PYRIDAZINES AS TRK INHIBITORS BenevolentAl Bio Limited (GB) 2021-08-19 US disclosed
US-20210253572-A1 IMIDAZO[1,2-B]PYRIDAZINES AS TRK INHIBITORS BenevolentAl Bio Limited (GB) 2021-08-19 US disclosed
WO-2021148805-A1 TOPICAL PHARMACEUTICAL COMPOSITIONS COMPRISING IMIDAZO[1,2-B]PYRIDAZINE COMPOUNDS BENEVOLENTAI BIO LIMITED (GB) 2021-07-29 WO disclosed
EP-3840832-A1 IMIDAZO[1,2-B]PYRIDAZINES AS TRK INHIBITORS BenevolentAI Bio Limited (GB) 2021-06-30 EP disclosed
WO-2020039209-A1 IMIDAZO[1,2-B]PYRIDAZINES AS TRK INHIBITORS BENEVOLENTAI BIO LIMITED (GB) 2020-02-27 WO disclosed
CN-101815710-A Pyrimidine and pyridine derivatives, their pharmaceutical use and compositions PFIZER 2010-08-25 CN disclosed
EP-2185537-A1 PYRIMIDINE AND PYRIDINE DERIVATIVES AND THEIR PHARMACEUTICAL USE AND COMPOSITIONS Pfizer Inc. (US) 2010-05-19 EP disclosed
WO-2009016498-A1 PYRIMIDINE AND PYRIDINE DERIVATIVES AND THEIR PHARMACEUTICAL USE AND COMPOSITIONS PFIZER INC. (US) 2009-02-05 WO disclosed
WO-2009016498-A1 PYRIMIDINE AND PYRIDINE DERIVATIVES AND THEIR PHARMACEUTICAL USE AND COMPOSITIONS PFIZER INC. (US) 2009-02-05 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 (2 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-20230149398-A1 TOPICAL PHARMACEUTICAL COMPOSITIONS COMPRISING IMIDAZO[1,2-B]PYRIDAZINE COMPOUNDS TNK2, TNIK, TNK1 HDAC1 1392/4885GRM2 3470/4885GAA 3257/4885
US-20210253572-A1 IMIDAZO[1,2-B]PYRIDAZINES AS TRK INHIBITORS MUSK, TPM3, CSNK1A1 HDAC1 714/4885GRM2 2488/4885GAA 3532/4885

“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.