SCHEMBL2455100

SCHEMBL2455100

c1ccc(-c2ccc3[nH]ncc3c2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 5/20 1.00
CLK4 Q9HAZ1 3/20 1.00
CLK1 P49759 2/20 1.00
CLK2 P49760 2/20 1.00
CDK5 Q00535 2/20 1.00
DYRK1A Q13627 2/20 1.00
DYRK3 O43781 1/20 1.00
CLK3 P49761 1/20 1.00
CDK5R1 Q15078 1/20 1.00
DYRK2 Q92630 1/20 1.00
DYRK1B Q9Y463 1/20 1.00
FGFR1 P11362 2/20 0.73
TRPA1 O75762 9/20 0.63
ROCK2 O75116 4/20 0.60
PIM1 P11309 4/20 0.60
CDC7 O00311 4/20 0.60
CDK2 P24941 3/20 0.60
AURKB Q96GD4 2/20 0.60
MAP4K4 O95819 2/20 0.60
HIPK2 Q9H2X6 2/20 0.60

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
SCHEMBL28247510 0.87 GSK3B (0.76) GSK3BCLK4CLK1CLK2CDK5
SCHEMBL2460902 0.85 FGFR1 (1.00) GSK3BCLK4CLK1CLK2CDK5
SCHEMBL4791316 0.83 CLK1 (1.00) GSK3BCLK4CLK1CLK2CDK5
SCHEMBL16573980 0.83 GSK3B (0.71) GSK3BCLK4CLK1CLK2CDK5
SCHEMBL16740690 0.83 NOS1 (0.72) GSK3BCLK4CLK1CLK2CDK5
SCHEMBL27663173 0.83 FGFR1 (0.74) GSK3BCLK4CLK1CLK2CDK5
SCHEMBL27074803 0.82 GSK3B (0.70) GSK3BCLK4CLK1CLK2CDK5
SCHEMBL758312 0.82 FGFR1 (0.77) GSK3BCLK4CLK1CLK2CDK5
SCHEMBL29354575 0.82 FGFR1 (0.77) GSK3BCLK4CLK1CLK2CDK5
SCHEMBL13680578 0.82 GSK3B (0.70) GSK3BCLK4CLK1CLK2CDK5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230052747-A1 COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF TUMORS TES PHARMA S.R.L. (IT) 2023-02-16 US disclosed
US-20200390774-A1 TRPA1 ANTAGONISTS FOR USE IN THE TREATMENT OF ATOPIC DERMATITIS GALDERMA RES & DEV (FR) 2020-12-17 US disclosed
US-20190307758-A1 TRPA1 ANTAGONISTS FOR USE IN THE TREATMENT OF ATOPIC DERMATITIS NESTLÉ SKIN HEALTH SA (CH) 2019-10-10 US disclosed
CN-104557942-B A kind of synthetic method of nitrogenous fused ring compound 温州大学 2016-08-24 CN disclosed
CN-103980280-B A kind of method of synthetic quinazolinone indazole derivative under acid condition WENZHOU UNIVERSITY (CN) 2016-05-04 CN disclosed
CN-103992325-B A kind of synthetic method of N-phenyl indazole [3,2-b] quinazoline-7 (5H)-one derivative WENZHOU UNIVERSITY (CN) 2015-12-09 CN disclosed
CN-105121418-A Benzothiazol- 6 -yl acetic acid derivatives and their use for treating an hiv infection GILEAD SCIENCES INC 2015-12-02 CN disclosed
CN-103664963-B Method for synthesizing quinazolino indazole derivatives UNIV WENZHOU 2015-07-01 CN disclosed
CN-104557942-A Synthetic method of nitrogen-containing fused ring compound UNIV WENZHOU 2015-04-29 CN disclosed
CN-103992325-A Method for synthesizing N-phenyl indazole [3,2-b] quinazoline-7(5H)-ketone derivatives UNIV WENZHOU 2014-08-20 CN disclosed
CN-103980280-A Method for synthesizing quinazolino indazole derivatives under acidic condition UNIV WENZHOU 2014-08-13 CN disclosed
WO-2011123937-A1 KINASE INHIBITORS AND METHOD OF TREATING CANCER WITH SAME UNIVERSITY HEALTH NETWORK (CA) 2011-10-13 WO disclosed
US-20110237633-A1 SMALL MOLECULE MODULATORS OF HEPATOCYTE GROWTH FACTOR (SCATTER FACTOR) ACTIVITY NATIONAL INSTITUTES OF HEALTH - DIRECTOR DEITR 2011-09-29 US disclosed
WO-2010068287-A2 SMALL MOLECULE MODULATORS OF HEPATOCYTE GROWTH FACTOR (SCATTER FACTOR) ACTIVITY ANGION BIOMEDICA CORP. (US) 2010-06-17 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 (4 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-20190307758-A1 TRPA1 ANTAGONISTS FOR USE IN THE TREATMENT OF ATOPIC DERMATITIS TRPA1, TRPV1, TRPV2 GSK3B 3348/4885CLK4 3725/4885CLK1 3349/4885
US-20110237633-A1 SMALL MOLECULE MODULATORS OF HEPATOCYTE GROWTH FACTOR (SCATTER FACTOR) ACTIVITY HGF, HDGF, MET GSK3B 817/4885CLK4 4394/4885CLK1 3871/4885
US-20230052747-A1 COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF TUMORS RAD51, BRCA1, FANCI GSK3B 970/4885CLK4 1779/4885CLK1 2750/4885
US-20200390774-A1 TRPA1 ANTAGONISTS FOR USE IN THE TREATMENT OF ATOPIC DERMATITIS TRPA1, TRPV1, TRPV2 GSK3B 3348/4885CLK4 3725/4885CLK1 3349/4885

“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.