SCHEMBL1161741

SCHEMBL1161741

CCOC(=O)c1cc2cccnc2cc1F

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.50
JMJD6 Q6NYC1 1/20 0.45
HTT P42858 2/20 0.45
ALOX15 P16050 1/20 0.45
KMT2A Q03164 4/20 0.44
MEN1 O00255 3/20 0.44
MAPT P10636 3/20 0.44
ALDH1A1 P00352 4/20 0.43
KDM4E B2RXH2 2/20 0.43
MAOA P21397 1/20 0.43
MAOB P27338 1/20 0.43
HPGD P15428 1/20 0.43
POLB P06746 3/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
ELANE P08246 1/20 0.43
HSP90AA1 P07900 1/20 0.43
GAA P10253 1/20 0.42
ATM Q13315 1/20 0.42
BRD4 O60885 1/20 0.42
CYP1A2 P05177 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
SCHEMBL24338529 0.90 ALDH1A1 (0.48) TSHRHTTALOX15KMT2AMAPT
SCHEMBL17442809 0.85 ALOX15 (0.58) HTTALOX15KMT2AMEN1MAPT
SCHEMBL25301208 0.84 ALOX15 (0.47) HTTALOX15KMT2AMEN1MAPT
SCHEMBL3411494 0.84 MEN1 (0.48) TSHRHTTALOX15KMT2AMEN1
SCHEMBL28864838 0.80 ALOX15 (0.44) HTTALOX15KMT2AMEN1MAPT
SCHEMBL25301207 0.78 MCL1 (0.52) TSHRHTTALOX15KMT2AMEN1
SCHEMBL3567620 0.77 MEN1 (0.53) HTTKMT2AMEN1MAPTALDH1A1
SCHEMBL828067 0.76 ALOX15 (0.71) HTTALOX15KMT2AMEN1MAPT
SCHEMBL29878621 0.76 NPC1 (0.55) HTTALOX15KMT2AMEN1MAPT
SCHEMBL2671850 0.76 NPC1 (0.55) HTTALOX15KMT2AMEN1MAPT

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-115515956-B Benzimidazole derivative, and preparation method and medical application thereof 深圳信立泰药业股份有限公司 2024-06-25 CN disclosed
CN-115515956-A Benzimidazole derivative and preparation method and medical application thereof 深圳信立泰药业股份有限公司 2022-12-23 CN disclosed
WO-2022068772-A1 BENZIMIDAZOLE DERIVATIVE, AND PREPARATION METHOD THEREFOR, AND MEDICAL USE THEREOF 深圳信立泰药业股份有限公司 2022-04-07 WO disclosed
WO-2022068772-A1 BENZIMIDAZOLE DERIVATIVE, AND PREPARATION METHOD THEREFOR, AND MEDICAL USE THEREOF 深圳信立泰药业股份有限公司 2022-04-07 WO disclosed
US-8822468-B2 3-Methyl-imidazo[1,2-b]pyridazine derivatives NOVARTIS AG (CH) 2014-09-02 US disclosed
US-8822468-B2 3-Methyl-imidazo[1,2-b]pyridazine derivatives NOVARTIS AG (CH) 2014-09-02 US disclosed
US-8822468-B2 3-Methyl-imidazo[1,2-b]pyridazine derivatives NOVARTIS AG (CH) 2014-09-02 US disclosed
EP-2462143-B1 3-HETEROARYLMETHYL-IMIDAZO[1,2-B]PYRIDAZIN-6-YL DERIVATIVES AS C-MET TYROSINE KINASE MODULATORS NOVARTIS AG (CH) 2013-05-29 EP disclosed
US-8389526-B2 3-heteroarylmethyl-imidazo[1,2-b]pyridazin-6-yl derivatives NOVARTIS AG (CH) 2013-03-05 US disclosed
US-8389526-B2 3-heteroarylmethyl-imidazo[1,2-b]pyridazin-6-yl derivatives NOVARTIS AG (CH) 2013-03-05 US disclosed
US-8389526-B2 3-heteroarylmethyl-imidazo[1,2-b]pyridazin-6-yl derivatives NOVARTIS AG (CH) 2013-03-05 US disclosed
EP-2462143-A1 3-HETEROARYLMETHYL-IMIDAZO[1,2-B]PYRIDAZIN-6-YL DERIVATIVES AS C-MET TYROSINE KINASE MODULATORS Novartis AG (CH) 2012-06-13 EP disclosed
US-20110039831-A1 3-HETEROARYLMETHYL-IMIDAZO[1,2-B]PYRIDAZIN-6-YL DERIVATIVES NOVARTIS AG (CH) 2011-02-17 US disclosed
WO-2011015652-A1 3-HETEROARYLMETHYL-IMIDAZO[1,2-B]PYRIDAZIN-6-YL DERIVATIVES AS C-MET TYROSINE KINASE MODULATORS NOVARTIS AG (CH) 2011-02-10 WO disclosed
EP-2265614-A1 IMIDAZO [1,2-B]PYRIDAZINE DERIVATIVES FOR THE TREATMENT OF C-MET TYROSINE KINASE MEDIATED DISEASE Novartis AG (CH) 2010-12-29 EP disclosed
US-20090264406-A1 3-METHYL-IMIDAZO[1,2-B]PYRIDAZINE DERIVATIVES NOVARTIS AG 2009-10-22 US disclosed
US-20090264406-A1 3-METHYL-IMIDAZO[1,2-B]PYRIDAZINE DERIVATIVES NOVARTIS AG 2009-10-22 US disclosed
US-20090264406-A1 3-METHYL-IMIDAZO[1,2-B]PYRIDAZINE DERIVATIVES NOVARTIS AG 2009-10-22 US disclosed
WO-2009106577-A1 IMIDAZO [1,2-B] PYRIDAZINE DERIVATIVES FOR THE TREATMENT OF C-MET TYROSINE KINASE MEDIATED DISEASE NOVARTIS AG (CH) 2009-09-03 WO disclosed
WO-2009106577-A1 IMIDAZO [1,2-B] PYRIDAZINE DERIVATIVES FOR THE TREATMENT OF C-MET TYROSINE KINASE MEDIATED DISEASE NOVARTIS AG (CH) 2009-09-03 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-20090264406-A1 3-METHYL-IMIDAZO[1,2-B]PYRIDAZINE DERIVATIVES MET, ERBB2, ALK TSHR 897/4885JMJD6 753/4885HTT 3764/4885
US-20110039831-A1 3-HETEROARYLMETHYL-IMIDAZO[1,2-B]PYRIDAZIN-6-YL DERIVATIVES MET, ERBB2, ABL1 TSHR 717/4885JMJD6 626/4885HTT 2877/4885

“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.