SCHEMBL2084458

SCHEMBL2084458

Cc1cc(C(F)(F)F)cnc1C

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AGBL2 Q5U5Z8 1/20 0.50
ALDH1A1 P00352 5/20 0.40
POLB P06746 3/20 0.39
KMT2A Q03164 3/20 0.39
PKM P14618 2/20 0.39
SMN1; SMN2 Q16637 3/20 0.38
HTT P42858 2/20 0.38
KDM4E B2RXH2 2/20 0.38
PLAU P00749 1/20 0.38
LMNA P02545 1/20 0.38
CYP2A6 P11509 1/20 0.37
MAPK1 P28482 1/20 0.37
MEN1 O00255 2/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
TDP1 Q9NUW8 1/20 0.36
STAT3 P40763 1/20 0.36
STAT1 P42224 1/20 0.36
CASP3 P42574 1/20 0.36
SENP8 Q96LD8 1/20 0.36

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
SCHEMBL31018138 1.00 AGBL2 (0.50) AGBL2ALDH1A1POLBKMT2APKM
Ammonia Solution, Strong SCHEMBL28479749 0.98 AGBL2 (0.49) AGBL2ALDH1A1POLBKMT2APKM
SCHEMBL28718173 0.88 AGBL2 (0.46) AGBL2ALDH1A1POLBKMT2APKM
SCHEMBL7940202 0.82 AGBL2 (0.43) AGBL2ALDH1A1POLBKMT2APKM
SCHEMBL16404975 0.82 AGBL2 (0.43) AGBL2ALDH1A1POLBKMT2APKM
SCHEMBL573513 0.80 CYP1A2 (0.43) AGBL2ALDH1A1POLBKMT2APKM
SCHEMBL166766 0.80 ALDH1A1 (0.53) ALDH1A1POLBKMT2APKMSMN1; SMN2
SCHEMBL30797381 0.80 CYP1A2 (0.43) AGBL2ALDH1A1POLBKMT2APKM
SCHEMBL13865688 0.80 AGBL2 (0.42) AGBL2ALDH1A1POLBKMT2APKM
SCHEMBL30358866 0.80 AGBL2 (0.42) AGBL2ALDH1A1POLBKMT2APKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3873900-B1 IMIDAZO[1,2-A]PYRIDINE DERIVATIVES AS ALPHA4BETA7 INTEGRIN INHIBITORS FOR THE TREATMENT OF INFLAMMATORY DISEASES GILEAD SCIENCES INC (US) 2025-01-08 EP disclosed
WO-2024138045-A1 MODULATORS OF NLRP3 INFLAMMASOME AND RELATED PRODUCTS AND METHODS Neumora Therapeutics, Inc. (US) 2024-06-27 WO disclosed
US-20230303495-A9 PYRIDINE OXYNITRIDE, PREPARATION METHOD THEREFOR AND USE THEREOF SHANGHAI JEYOU PHARMACEUTICAL CO., LTD. (CN) 2023-09-28 US disclosed
US-11690378-B2 Substituted pyridines as noxious arthropod control agents SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2023-07-04 US disclosed
WO-2023119233-A1 DEUBIQUITINASE INHIBITORS AND METHODS OF USE THEREOF MOLECURE S.A. (PL) 2023-06-29 WO disclosed
US-20230151002-A1 6-5 FUSED RINGS AS C5a INHIBITORS CHEMOCENTRYX, INC. 2023-05-18 US disclosed
US-20230151002-A1 6-5 FUSED RINGS AS C5a INHIBITORS CHEMOCENTRYX, INC. 2023-05-18 US disclosed
WO-2023006013-A1 NOVEL PARP7 INHIBITOR AND USE THEREOF 上海齐鲁制药研究中心有限公司 2023-02-02 WO disclosed
US-20230026907-A1 PYRIDINE OXYNITRIDE, PREPARATION METHOD THEREFOR AND USE THEREOF ORION CORP (FI) 2023-01-26 US disclosed
US-20220135561-A1 IMIDAZOPYRIDINE DERIVATIVES GILEAD SCIENCES, INC. 2022-05-05 US disclosed
US-20090023716-A1 Benzoxazines and Related Nitrogen-Containing Heterobicyclic Compounds Useful as Mineralocorticoid Receptor Modulating Agents MITSUBISHI TANABE PHARMA CORPORATION (JP) 2009-01-22 US disclosed
US-20080255197-A1 CXCR4 CHEMOKINE RECEPTOR BINDING COMPOUNDS ANORMED CORPORATION (CA) 2008-10-16 US disclosed
US-7291631-B2 CXCR4 chemokine receptor binding compounds GENZYME CORPORATION (US) 2007-11-06 US disclosed
WO-2007089034-A1 BENZOXAZINES AND RELATED NITROGEN-CONTAINING HETEROBICYCLIC COMPOUNDS USEFUL AS MINERALOCORTICOID RECEPTOR MODULATING AGENTS MITSUBISHI TANABE PHARMA CORPORATION (JP) 2007-08-09 WO disclosed
US-20070149557-A1 CXCR3 antagonists AMGEN INC. (US) 2007-06-28 US disclosed
US-20070117820-A1 Heterocyclic urea derivatives for the treatment of pain KYOWA HAKKO KOGYO CO., LTD. (JP) 2007-05-24 US disclosed
US-20070117820-A1 Heterocyclic urea derivatives for the treatment of pain KYOWA HAKKO KOGYO CO., LTD. (JP) 2007-05-24 US disclosed
EP-1613613-A2 CXCR4 CHEMOKINE RECEPTOR BINDING COMPOUNDS ANORMED INC. (CA) 2006-01-11 EP disclosed
WO-2004091518-A2 CXCR4 CHEMOKINE RECEPTOR BINDING COMPOUNDS ANORMED INC. (CA) 2004-10-28 WO disclosed
US-20040209921-A1 CXCR4 chemokine receptor binding comounds ANORMED CORPORATION (CA) 2004-10-21 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 (10 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-20070117820-A1 Heterocyclic urea derivatives for the treatment of pain U2SURP, UMPS, SFPQ AGBL2 4820/4885ALDH1A1 1439/4885POLB 1994/4885
US-11690378-B2 Substituted pyridines as noxious arthropod control agents COX6C, C5, COX6B1 AGBL2 3438/4885ALDH1A1 1417/4885POLB 4116/4885
US-20230026907-A1 PYRIDINE OXYNITRIDE, PREPARATION METHOD THEREFOR AND USE THEREOF SCN11A, HCN4, CACNA1F AGBL2 3762/4885ALDH1A1 1729/4885POLB 3753/4885
US-20230151002-A1 6-5 FUSED RINGS AS C5a INHIBITORS C5AR1, C5AR2, C3AR1 AGBL2 341/4885ALDH1A1 3166/4885POLB 4582/4885
US-20230303495-A9 PYRIDINE OXYNITRIDE, PREPARATION METHOD THEREFOR AND USE THEREOF SCN11A, HCN4, CACNA1F AGBL2 3762/4885ALDH1A1 1729/4885POLB 3753/4885
US-20070149557-A1 CXCR3 antagonists CXCR3, CXCR1, CCR5 AGBL2 2863/4885ALDH1A1 2899/4885POLB 3807/4885
US-20220135561-A1 IMIDAZOPYRIDINE DERIVATIVES TPMT, IRAK4, CFTR AGBL2 2245/4885ALDH1A1 193/4885POLB 2410/4885
US-20090023716-A1 Benzoxazines and Related Nitrogen-Containing Heterobicyclic Compounds Useful as Mineralocorticoid Receptor Modulating Agents NR3C2, MC2R, NR3C1 AGBL2 4748/4885ALDH1A1 2133/4885POLB 3875/4885
US-20040209921-A1 CXCR4 chemokine receptor binding comounds CXCR4, CXCR1, CXCR3 AGBL2 3707/4885ALDH1A1 357/4885POLB 3913/4885
US-20080255197-A1 CXCR4 CHEMOKINE RECEPTOR BINDING COMPOUNDS CXCR4, CXCR1, CXCR3 AGBL2 3675/4885ALDH1A1 424/4885POLB 4206/4885

“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.