SCHEMBL84449

SCHEMBL84449

CC(C)c1ccnc(F)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 1/20 0.42
LMNA P02545 1/20 0.35
IDO1 P14902 1/20 0.35
CHRNA7 P36544 1/20 0.35
TRPA1 O75762 1/20 0.34
PTGS1 P23219 1/20 0.34
CACNA1C Q13936 1/20 0.34
JAK2 O60674 3/20 0.34
MAP4K4 O95819 2/20 0.34
AURKA O14965 1/20 0.34
DAPK3 O43293 1/20 0.34
PAK4 O96013 1/20 0.34
ABL1 P00519 1/20 0.34
LCK P06239 1/20 0.34
FYN P06241 1/20 0.34
CSF1R P07333 1/20 0.34
RET P07949 1/20 0.34
IGF1R P08069 1/20 0.34
FLT1 P17948 1/20 0.34
LTK P29376 1/20 0.34

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
SCHEMBL10532291 0.92 CYP3A4 (0.41) LOXL2MAP4K4ALDH1A1GAAPDE10A
SCHEMBL12093203 0.84 LOXL2 (0.43) LOXL2IDO1MAP4K4DYRK1AAAK1
SCHEMBL20272654 0.83 LOXL2 (0.35) LOXL2CHRNA7JAK2ALDH1A1
SCHEMBL27632109 0.83 LOXL2 (0.39) LOXL2IDO1MAP4K4AAK1PDE10A
SCHEMBL20771993 0.83 LOXL2 (0.44) LOXL2IDO1AAK1ADORA2BROCK1
SCHEMBL17000193 0.83 LOXL2 (0.39) LOXL2IDO1MAP4K4AAK1PDE10A
SCHEMBL20508509 0.83 LOXL2 (0.44) LOXL2IDO1AAK1ADORA2BROCK1
SCHEMBL4340117 0.83 LOXL2 (0.44) LOXL2IDO1AAK1ADORA2BROCK1
SCHEMBL13028898 0.81 LOXL2 (0.38) LOXL2LMNAIDO1MAP4K4AAK1
Hydrochloric Acid SCHEMBL28802910 0.81 LOXL2 (0.42) LOXL2IDO1AAK1ADORA2BROCK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11912693-B2 Compounds for modulating S1P1 activity and methods of using the same TREVENA, INC. (US) 2024-02-27 US disclosed
US-20240018151-A1 NOVEL INHIBITORS OF PIKFYVE AND METHODS USING SAME TME THERAPEUTICS LLC 2024-01-18 US disclosed
US-11856955-B2 Binary compositions as disruptors of Orco-mediated odorant sensing VANDERBILT UNIVERSITY (US) 2024-01-02 US disclosed
US-20230357254-A1 IMIDAZOPYRIDAZINES AS MODULATORS OF IL-17 JANSSEN PHARMACEUTICA NV (BE) 2023-11-09 US disclosed
EP-3356345-B1 HETEROARYL DERIVATIVES AS SEPIAPTERIN REDUCTASE INHIBITORS MAX PLANCK GESELLSCHAFT (DE) 2023-11-08 EP disclosed
US-20230270751-A1 BENZODIAZEPINE DERIVATIVES USEFUL IN TREATING A RESPIRATORY SYNCYTIAL VIRUS INFECTION PFIZER INC. 2023-08-31 US disclosed
US-20230270751-A1 BENZODIAZEPINE DERIVATIVES USEFUL IN TREATING A RESPIRATORY SYNCYTIAL VIRUS INFECTION PFIZER INC. 2023-08-31 US disclosed
EP-3611165-B1 PYRIDONE COMPOUND, AND AGRICULTURAL AND HORTICULTURAL FUNGICIDE HAVING THIS AS ACTIVE COMPONENT MITSUI CHEMICALS CROP & LIFE SOLUTIONS INC (JP) 2023-08-16 EP disclosed
US-20230234946-A1 COMPOUNDS FOR MODULATING S1P1 ACTIVITY AND METHODS OF USING THE SAME TREVENA, INC. 2023-07-27 US disclosed
US-20230234946-A1 COMPOUNDS FOR MODULATING S1P1 ACTIVITY AND METHODS OF USING THE SAME TREVENA, INC. 2023-07-27 US disclosed
US-20090042897-A1 Chemical Compounds GLAXO GROUP LIMITED (GB) 2009-02-12 US disclosed
US-20080293718-A1 Novel 2-Amino-Imidazole-4-One Compounds and Their Use in the Manufacture of a Medicament to Be Used in the Treatment of Cognitive Impairment, Alzheimer's Disease, Neurodegeneration and Dementia ASTRAZENECA AB (SE) 2008-11-27 US disclosed
US-20080293718-A1 Novel 2-Amino-Imidazole-4-One Compounds and Their Use in the Manufacture of a Medicament to Be Used in the Treatment of Cognitive Impairment, Alzheimer's Disease, Neurodegeneration and Dementia ASTRAZENECA AB (SE) 2008-11-27 US disclosed
WO-2007087488-A9 INDOLE SULFONAMIDE MODULATORS OF PROGESTERONE RECEPTORS LILLY CO ELI (US) 2008-08-28 WO disclosed
US-20080070920-A1 Novel HIV reverse transcriptase inhibitors KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2008-03-20 US disclosed
US-20070191604-A1 Novel compounds that are ERK inhibitors SCHERING CORPORATION 2007-08-16 US disclosed
US-20070142369-A1 Combination of an H3 antagonist/inverse agonist and an appetite suppressant SCHERING CORPORATION 2007-06-21 US disclosed
US-7220735-B2 Benzimidazolone histamine H3 antagonists SCHERING CORPORATION (US) 2007-05-22 US disclosed
WO-1989000560-A1 DIRECT FLUORINATION OF SUBSTITUTED PYRIDINES ALLIED SIGNAL INC (US) 1989-01-26 WO disclosed
US-4786733-A CONTACTING WITH FLUORINE GAS ALLIED-SIGNAL INC. (US) 1988-11-22 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 (11 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-11856955-B2 Binary compositions as disruptors of Orco-mediated odorant sensing OR51E2, OR10J3, ORC3 LOXL2 1284/4885LMNA 4281/4885IDO1 1285/4885
US-20230234946-A1 COMPOUNDS FOR MODULATING S1P1 ACTIVITY AND METHODS OF USING THE SAME S1PR1, S1PR2, S1PR3 LOXL2 1735/4885LMNA 2749/4885IDO1 1626/4885
US-20230357254-A1 IMIDAZOPYRIDAZINES AS MODULATORS OF IL-17 IL17A, IL23R, IL15 LOXL2 4393/4885LMNA 4790/4885IDO1 246/4885
US-20070142369-A1 Combination of an H3 antagonist/inverse agonist and an appetite suppressant CNR2, GPR119, GLP1R LOXL2 3745/4885LMNA 4032/4885IDO1 183/4885
US-20230270751-A1 BENZODIAZEPINE DERIVATIVES USEFUL IN TREATING A RESPIRATORY SYNCYTIAL VIRUS INFECTION CNR1, CNR2, SIGMAR1 LOXL2 3794/4885LMNA 2323/4885IDO1 1119/4885
US-20070191604-A1 Novel compounds that are ERK inhibitors MAPK1, MAPK4, MAPKAPK2 LOXL2 3282/4885LMNA 4536/4885IDO1 2606/4885
US-20240018151-A1 NOVEL INHIBITORS OF PIKFYVE AND METHODS USING SAME PIKFYVE, PIK3CD, PIK3R5 LOXL2 3725/4885LMNA 4109/4885IDO1 1352/4885
US-11912693-B2 Compounds for modulating S1P1 activity and methods of using the same S1PR1, S1PR2, S1PR3 LOXL2 1735/4885LMNA 2749/4885IDO1 1626/4885
US-20090042897-A1 Chemical Compounds NPY5R, NPY1R, NPY2R LOXL2 1908/4885LMNA 3208/4885IDO1 287/4885
US-20080293718-A1 Novel 2-Amino-Imidazole-4-One Compounds and Their Use in the Manufacture of a Medicament to Be Used in the Treatment of Cognitive Impairment, Alzheimer's Disease, Neurodegeneration and Dementia PSEN2, MAPT, PSEN1 LOXL2 3915/4885LMNA 3250/4885IDO1 348/4885
US-20080070920-A1 Novel HIV reverse transcriptase inhibitors POLR2E, POLRMT, POLR2H LOXL2 4467/4885LMNA 3150/4885IDO1 3211/4885

“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.