SCHEMBL10242682

SCHEMBL10242682

CC(=O)c1cc(-c2ccccc2)n[nH]1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.74
CHEK1 O14757 1/20 0.71
RET P07949 1/20 0.71
PDGFRB P09619 1/20 0.71
PIM1 P11309 1/20 0.71
PDGFRA P16234 1/20 0.71
GSK3B P49841 1/20 0.71
RPS6KA3 P51812 1/20 0.71
LIMK1 P53667 1/20 0.71
CDK5 Q00535 1/20 0.71
TYRO3 Q06418 1/20 0.71
MAPK14 Q16539 1/20 0.71
LRRK2 Q5S007 1/20 0.71
AURKB Q96GD4 1/20 0.71
CLK4 Q9HAZ1 1/20 0.71
DYRK1B Q9Y463 1/20 0.71
GAA P10253 1/20 0.69
ADORA3 P0DMS8 1/20 0.65
ADORA2A P29274 1/20 0.65
ADORA2B P29275 1/20 0.65

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
SCHEMBL19533530 0.86 ALPL (0.59) TP53CHEK1RETPDGFRBPIM1
SCHEMBL726574 0.85 TP53 (1.00) TP53CHEK1RETPDGFRBPIM1
SCHEMBL27887288 0.85 TP53 (0.79) TP53CHEK1RETPDGFRBPIM1
SCHEMBL22414089 0.84 HDAC3 (0.53) TP53CHEK1RETPDGFRBPIM1
SCHEMBL13539275 0.84 ALPL (0.76) TP53CHEK1RETPDGFRBPIM1
SCHEMBL13539269 0.84 ALPL (0.73) TP53CHEK1RETPDGFRBPIM1
Hydrochloric Acid SCHEMBL28800536 0.84 TP53 (0.77) TP53CHEK1RETPDGFRBPIM1
SCHEMBL13539270 0.83 ALPL (0.73) TP53ACRALPLCA12POLB
SCHEMBL13689284 0.83 ADORA3 (0.70) TP53CHEK1RETPDGFRBPIM1
SCHEMBL13539283 0.83 ALPL (0.73) TP53ALPLCA12POLBMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024115546-A1 FUNGICIDAL COMPOSITIONS SYNGENTA CROP PROTECTION AG (CH) 2024-06-06 WO disclosed
US-20230121337-A1 CDK2 INHIBITORS AND METHODS OF USING THE SAME CEDILLA THERAPEUTICS, INC. 2023-04-20 US disclosed
WO-2022272106-A1 CDK2 INHIBITORS AND METHODS OF USING THE SAME CEDILLA THERAPEUTICS, INC. (US) 2022-12-29 WO disclosed
US-20130295261-A1 ISOSORBIDE DERIVATIVES AND THEIR USE AS FLAVOR MODIFIERS, TASTANTS, AND TASTE ENHANCERS SENOMYX, INC. (US) 2013-11-07 US disclosed
US-8420145-B2 Isosorbide derivatives and their use as flavor modifiers, tastants, and taste enhancers SENOMYX, INC. (US) 2013-04-16 US disclosed
US-8148373-B2 Compounds ASTRAZENECA AB (SE) 2012-04-03 US disclosed
US-20100016313-A1 INTESTINAL ALKALINE PHOSPHATASE MODULATORS AND USES THEREOF BURNHAM INSTITUTE FOR MEDICAL RESEARCH (US) 2010-01-21 US disclosed
US-7649009-B2 N-(trans-4-tert-butylcyclohexyl)-1-{4-[(1h-tetrazol-5-ylamino)carbonyl]benzyl }-3-(3,4,5-trifluoropbenyl)-1h-pyrazole-5-carboxamide; type 2 diabetes, hyperglycemia, diabetes or insulin resistance, Syndrome X, atherosclerosis MERCK & CO., INC. (US) 2010-01-19 US disclosed
US-20090298807-A1 Compounds ASTRAZENECA AB (SE) 2009-12-03 US disclosed
US-7625938-B2 Substituted pyrazoles, compositions containing such compounds and methods of use MERCK & CO., INC. (US) 2009-12-01 US disclosed
US-20080108620-A1 Substituted Pyrazoles, Compositions Containing such Compounds and Methods of Use MERCK & CO., INC. (US) 2008-05-08 US disclosed
US-20070203186-A1 Pyrazole Amide Derivatives, Compositions Containing Such Compounds And Methods Of Use MERCK & CO., INC. (US) 2007-08-30 US 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 (5 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-20080108620-A1 Substituted Pyrazoles, Compositions Containing such Compounds and Methods of Use GLP1R, GCGR, GPR119 TP53 3463/4885CHEK1 3033/4885RET 1756/4885
US-20230121337-A1 CDK2 INHIBITORS AND METHODS OF USING THE SAME CDK2, CDK20, CDK2AP2 TP53 220/4885CHEK1 57/4885RET 1759/4885
US-20100016313-A1 INTESTINAL ALKALINE PHOSPHATASE MODULATORS AND USES THEREOF ALPI, SI, FABP2 TP53 4199/4885CHEK1 4389/4885RET 3609/4885
US-20070203186-A1 Pyrazole Amide Derivatives, Compositions Containing Such Compounds And Methods Of Use AADAC, GOT2, GLS2 TP53 2212/4885CHEK1 2605/4885RET 3600/4885
US-20090298807-A1 Compounds PKD1, SLC10A1, ABCB11 TP53 3546/4885CHEK1 4179/4885RET 3873/4885

“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.