SCHEMBL220155

SCHEMBL220155

COc1ccc(-c2cccnn2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 11/20 0.50
RAB9A P51151 10/20 0.50
MAPT P10636 6/20 0.50
KDM4E B2RXH2 5/20 0.50
SMN1; SMN2 Q16637 5/20 0.50
PKM P14618 2/20 0.50
CLK4 Q9HAZ1 1/20 0.50
TP53 P04637 1/20 0.48
ALDH1A1 P00352 4/20 0.46
HPGD P15428 2/20 0.46
NFKB1 P19838 1/20 0.46
NFKB2 Q00653 1/20 0.46
RELA Q04206 1/20 0.46
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2C19 P33261 1/20 0.45
SYK P43405 1/20 0.44
CYP19A1 P11511 1/20 0.44
MAPK1 P28482 1/20 0.43
POLB P06746 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
SCHEMBL2576593 0.80 DYRK1A (0.54) NPC1RAB9AMAPTKDM4ESMN1; SMN2
SCHEMBL6850684 0.78 SLC6A2 (0.49) NPC1RAB9AMAPTKDM4ESMN1; SMN2
SCHEMBL30661704 0.78 SLC6A2 (0.49) NPC1RAB9AMAPTKDM4ESMN1; SMN2
SCHEMBL5912693 0.77 NPC1 (0.50) NPC1RAB9AMAPTKDM4ESMN1; SMN2
SCHEMBL27736352 0.77 ALDH1A1 (0.50) NPC1RAB9AMAPTKDM4ESMN1; SMN2
SCHEMBL28211564 0.77 SCN5A (0.49) NPC1RAB9AMAPTKDM4EALDH1A1
SCHEMBL21412311 0.77 HDAC4 (0.40) MAPTCYP1A2CYP2C19CYP19A1DHODH
SCHEMBL30661712 0.76 NPC1 (0.62) NPC1RAB9AMAPTKDM4ESMN1; SMN2
SCHEMBL29105359 0.76 NPC1 (0.62) NPC1RAB9AMAPTKDM4ESMN1; SMN2
SCHEMBL3628069 0.75 NPC1 (0.61) NPC1RAB9AMAPTKDM4ESMN1; 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 20 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117624177-A Fluorescent probe responding to nitrite peroxide and preparation method and application thereof 上海交通大学 2024-03-01 CN disclosed
CN-112645885-B Iminopyridazine derivative, preparation method and application thereof, and pesticide 武汉工程大学 2022-11-01 CN disclosed
CN-110093061-B Photosensitive resin with maleimide structure and preparation method and application thereof 浙江永太新材料有限公司 2022-04-22 CN disclosed
CN-112645885-A Iminopyridazine derivative, preparation method and application thereof, and pesticide 武汉工程大学 2021-04-13 CN disclosed
CN-106061974-B Maleimide derivatives as the conditioning agent of WNT approach 新加坡科技研究局 2018-04-20 CN disclosed
US-8178540-B2 Pyrimidylmethyl-sulfonamide compounds BASF SE (DE) 2012-05-15 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-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
EP-2264014-A1 Substituted pyridazines as anti-inflammatory agents and protein kinase inhibitors Université Louis Pasteur (FR) 2010-12-22 EP 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-20100077512-A1 Pyridazin-4-ylmethyl-sulfonamides used as Fungicides and Against Arthropods BASF SE (DE) 2010-03-25 US disclosed
US-20100069243-A1 Pyrimidylmethyl-Sulfonamide Compounds BASF SE (DE) 2010-03-18 US disclosed
US-20080132698-A1 Use of N-oxide compounds in coupling reactions UNIVERSITY OF OTTAWA 2008-06-05 US disclosed
US-20080132698-A1 Use of N-oxide compounds in coupling reactions UNIVERSITY OF OTTAWA 2008-06-05 US disclosed
US-20080132698-A1 Use of N-oxide compounds in coupling reactions UNIVERSITY OF OTTAWA 2008-06-05 US disclosed
US-20060073472-A1 Anti-inflammatory and protein kinase inhibitor compositions and related methods for downregulation of detrimental cellular responses and inhibition of cell death UNIVERSITE DE STRASBOURG (FR) 2006-04-06 US disclosed
EP-1430033-A4 ANTI-INFLAMMATORY AND PROTEIN KINASE INHIBITOR COMPOSITION AND METHOD OF USE UNIV NORTHWESTERN (US) 2004-12-15 EP disclosed
EP-1430033-A1 ANTI-INFLAMMATORY AND PROTEIN KINASE INHIBITOR COMPOSITION AND METHOD OF USE NORTHWESTERN UNIVERSITY (US) 2004-06-23 EP disclosed
US-20030176437-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 - DIRECTOR DEITR 2003-09-18 US disclosed
WO-2003018563-A1 ANTI-INFLAMMATORY AND PROTEIN KINASE INHIBITOR COMPOSITION AND METHOD OF USE NORTHWESTERN UNIVERSITY (US) 2003-03-06 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-20100069243-A1 Pyrimidylmethyl-Sulfonamide Compounds TPMT, NISCH, PPA1 NPC1 4195/4885RAB9A 2914/4885MAPT 3912/4885
US-20060073472-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 NPC1 3563/4885RAB9A 3629/4885MAPT 1672/4885
US-20080132698-A1 Use of N-oxide compounds in coupling reactions CYP4X1, CYP4F3, CYP1A2 NPC1 731/4885RAB9A 1209/4885MAPT 4072/4885
US-20100077512-A1 Pyridazin-4-ylmethyl-sulfonamides used as Fungicides and Against Arthropods PIR, PRDX4, PRDX2 NPC1 4528/4885RAB9A 3677/4885MAPT 3435/4885
US-20030176437-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 NPC1 3563/4885RAB9A 3629/4885MAPT 1672/4885
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 NPC1 3563/4885RAB9A 3629/4885MAPT 1672/4885

“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.