SCHEMBL433756

SCHEMBL433756

COc1ccc(-c2ccc(N)nn2)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 6/20 0.59
▸ KDM4E B2RXH2 6/20 0.59
▸ NPC1 O15118 5/20 0.59
▸ RAB9A P51151 5/20 0.59
▸ SMN1; SMN2 Q16637 4/20 0.59
▸ PKM P14618 1/20 0.59
▸ DYRK1A Q13627 3/20 0.54
▸ ALDH1A1 P00352 4/20 0.51
▸ POLB P06746 1/20 0.51
▸ APP P05067 2/20 0.50
▸ TP53 P04637 3/20 0.47
▸ HSD17B10 Q99714 2/20 0.47
▸ NFKB1 P19838 2/20 0.47
▸ NFKB2 Q00653 2/20 0.47
▸ RELA Q04206 2/20 0.47
▸ HPGD P15428 1/20 0.47
▸ LMNA P02545 1/20 0.46
▸ CASP1 P29466 1/20 0.45
▸ MAPK1 P28482 1/20 0.45
▸ TDP1 Q9NUW8 1/20 0.45

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
SCHEMBL29105359 0.80 NPC1 (0.62) MAPTKDM4ENPC1RAB9ASMN1; SMN2
SCHEMBL29703893 0.80 MAPT (0.62) MAPTKDM4ENPC1RAB9ASMN1; SMN2
SCHEMBL25591566 0.80 MAPT (0.62) MAPTKDM4ENPC1RAB9ASMN1; SMN2
SCHEMBL30661712 0.80 NPC1 (0.62) MAPTKDM4ENPC1RAB9ASMN1; SMN2
SCHEMBL16835839 0.79 KDM4E (0.53) MAPTKDM4ENPC1RAB9ASMN1; SMN2
SCHEMBL24784466 0.78 MAPT (0.57) MAPTKDM4ENPC1RAB9ASMN1; SMN2
SCHEMBL2615846 0.78 NPC1 (0.61) MAPTKDM4ENPC1RAB9ASMN1; SMN2
SCHEMBL11996731 0.78 SMN1; SMN2 (0.50) MAPTKDM4ENPC1RAB9ASMN1; SMN2
SCHEMBL16835888 0.78 CYP11B1 (0.47) —
SCHEMBL28677979 0.77 APP (0.46) MAPTKDM4ENPC1RAB9ASMN1; SMN2

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 41 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230305028-A1 REAGENT COMPOSITION FOR DETECTING ILLICIT DRUGS AND SHEET KIT FOR DETECTING ILLICIT DRUGS COMPRISING SAME KOREA RESEARCH INSTITUTE OF BIOSCIENCE AND BIOTECHNOLOGY (KR) 2023-09-28 — — US disclosed
US-20230080054-A1 INHIBITORS OF ANOCTAMIN 6 PROTEIN AND USES THEREOF ILDONG PHARMACEUTICAL CO., LTD. (KR) 2023-03-16 — — US disclosed
WO-2022195522-A1 INHIBITORS OF ANO6 AND THEIR USES THEREOF ILDONG PHARMACEUTICAL CO., LTD. (KR) 2022-09-22 — — WO disclosed
WO-2022157686-A1 INHIBITORS OF ANOCTAMIN 6 PROTEIN AND USES THEREOF ILDONG PHARMACEUTICAL CO., LTD. (KR) 2022-07-28 — — WO disclosed
WO-2022010089-A1 REAGENT COMPOSITION FOR DETECTING ILLICIT DRUGS AND SHEET KIT FOR DETECTING ILLICIT DRUGS COMPRISING SAME 한국생명공학연구원 2022-01-13 — — WO disclosed
EP-3448853-B1 COMPOUNDS FOR MODULATING AQUAPORINS APOGLYX AB (SE) 2021-11-17 — — EP disclosed
EP-3448853-B1 COMPOUNDS FOR MODULATING AQUAPORINS APOGLYX AB (SE) 2021-11-17 — — EP disclosed
US-10730865-B2 Compounds for modulating aquaporins APOGLYX AB (SE) 2020-08-04 — — US disclosed
US-10730865-B2 Compounds for modulating aquaporins APOGLYX AB (SE) 2020-08-04 — — US disclosed
US-20190127360-A1 COMPOUNDS FOR MODULATING AQUAPORINS APOGLYX AB (SE) 2019-05-02 — — US disclosed
WO-2012011081-A1 DERIVATIVES OF OXADIAZOLE AND PYRIDAZINE, THEIR PREPARATION AND THEIR APPLICATION IN THERAPEUTICS SANOFI (FR) 2012-01-26 — — WO disclosed
US-8088774-B2 Anti-inflammatory and protein kinase inhibitor compositions and related methods for downregulation of detrimental cellular responses and inhibition of cell death NORTHWESTERN UNIVERSITY (US) 2012-01-03 — — US disclosed
US-8088774-B2 Anti-inflammatory and protein kinase inhibitor compositions and related methods for downregulation of detrimental cellular responses and inhibition of cell death NORTHWESTERN UNIVERSITY (US) 2012-01-03 — — US disclosed
US-20110046127-A1 Imidazopyridazines for Use as Protein Kinase Inhibitors CENTRO NACIONAL DE INVESTIGACIONES ONCOLOGICAS (CNIO) (ES) 2011-02-24 — — US disclosed
US-7888357-B2 Anti-inflammatory and protein kinase inhibitor compositions and related methods for downregulation of detrimental cellular responses and inhibition of cell death NORTHWESTERN UNIVERSITY (US) 2011-02-15 — — US disclosed
US-7888357-B2 Anti-inflammatory and protein kinase inhibitor compositions and related methods for downregulation of detrimental cellular responses and inhibition of cell death NORTHWESTERN UNIVERSITY (US) 2011-02-15 — — US disclosed
US-20100317665-A1 Anti-Inflammatory And Protein Kinase Inhibitor Compositions And Related Methods For Downregulation Of Detrimental Cellular Responses And Inhibition Of Cell Death NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2010-12-16 — — US disclosed
US-20100317665-A1 Anti-Inflammatory And Protein Kinase Inhibitor Compositions And Related Methods For Downregulation Of Detrimental Cellular Responses And Inhibition Of Cell Death NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2010-12-16 — — US disclosed
EP-2217601-A1 IMIDAZOPYRIDAZINES FOR USE AS PROTEIN KINASE INHIBITORS Centro Nacional de Investigaciones Oncológicas (CNIO) (ES) 2010-08-18 — — EP disclosed
WO-2009060197-A1 IMIDAZOPYRIDAZINES FOR USE AS PROTEIN KINASE INHIBITORS CENTRO NACIONAL DE INVESTIGACIONES ONCOLOGICAS (CNIO) (ES) 2009-05-14 — — 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 (6 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-10730865-B2 Compounds for modulating aquaporins AQP1, AQP4, AQP3 MAPT 2603/4885KDM4E 4131/4885NPC1 96/4885
US-20190127360-A1 COMPOUNDS FOR MODULATING AQUAPORINS AQP1, AQP4, AQP3 MAPT 2603/4885KDM4E 4131/4885NPC1 96/4885
US-20230080054-A1 INHIBITORS OF ANOCTAMIN 6 PROTEIN AND USES THEREOF ANO1, ANO2, CACYBP MAPT 3044/4885KDM4E 3252/4885NPC1 2582/4885
US-20100317665-A1 Anti-Inflammatory And Protein Kinase Inhibitor Compositions And Related Methods For Downregulation Of Detrimental Cellular Responses And Inhibition Of Cell Death CASP2, CASP1, DAPK2 MAPT 1672/4885KDM4E 1828/4885NPC1 3563/4885
US-20230305028-A1 REAGENT COMPOSITION FOR DETECTING ILLICIT DRUGS AND SHEET KIT FOR DETECTING ILLICIT DRUGS COMPRISING SAME CYP3A5, GABRA5, CYP3A7 MAPT 1458/4885KDM4E 728/4885NPC1 2362/4885
US-20110046127-A1 Imidazopyridazines for Use as Protein Kinase Inhibitors PIM1, PIM3, PIM2 MAPT 3988/4885KDM4E 698/4885NPC1 3092/4885

“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.

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