SCHEMBL1286684

SCHEMBL1286684

CC(=O)c1ccccc1OC(F)F

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 1/20 0.53
SMN1; SMN2 Q16637 4/20 0.51
LMNA P02545 4/20 0.51
ALDH1A1 P00352 4/20 0.51
KDM4E B2RXH2 1/20 0.51
KMT2A Q03164 3/20 0.50
ADRA2A P08913 1/20 0.49
ADRA2B P18089 1/20 0.49
ADRA2C P18825 1/20 0.49
HTT P42858 2/20 0.48
ALPL P05186 1/20 0.48
GAA P10253 2/20 0.48
CYP11B1 P15538 1/20 0.46
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
L3MBTL1 Q9Y468 1/20 0.46

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
SCHEMBL2094692 0.84 IRAK4 (0.72) IRAK4SMN1; SMN2LMNAALDH1A1KDM4E
SCHEMBL11212937 0.84 HTT (0.49) IRAK4SMN1; SMN2LMNAALDH1A1KDM4E
SCHEMBL26914818 0.84 KMT2A (0.46) IRAK4SMN1; SMN2LMNAALDH1A1KDM4E
SCHEMBL29867597 0.84 KMT2A (0.46) IRAK4SMN1; SMN2LMNAALDH1A1KDM4E
SCHEMBL13265348 0.84 KMT2A (0.43) IRAK4SMN1; SMN2LMNAALDH1A1KDM4E
SCHEMBL975946 0.82 KDM4E (0.55) SMN1; SMN2LMNAALDH1A1KDM4EKMT2A
SCHEMBL2481524 0.82 KMT2A (0.42) IRAK4SMN1; SMN2LMNAALDH1A1KDM4E
SCHEMBL12438201 0.81 SMN1; SMN2 (0.50) IRAK4SMN1; SMN2LMNAALDH1A1KDM4E
SCHEMBL1856862 0.81 SLC6A3 (0.56) SMN1; SMN2LMNAALDH1A1KDM4EKMT2A
SCHEMBL2301384 0.81 ALDH1A1 (0.48) IRAK4SMN1; SMN2LMNAALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3976608-B1 THIADIAZOLYL DERIVATIVES AS DNA POLYMERASE THETA INHIBITORS IDEAYA BIOSCIENCES INC (US) 2023-11-08 EP disclosed
US-11760701-B2 Difluoromethoxylation and trifluoromethoxylation compositions and methods for synthesizing same THE RESEARCH FOUNDATION FOR THE STATE UNIVERSITY OF NEW YROK (US) 2023-09-19 US disclosed
US-11760701-B2 Difluoromethoxylation and trifluoromethoxylation compositions and methods for synthesizing same THE RESEARCH FOUNDATION FOR THE STATE UNIVERSITY OF NEW YROK (US) 2023-09-19 US disclosed
EP-3976608-A1 THIADIAZOLYL DERIVATIVES AS DNA POLYMERASE THETA INHIBITORS Ideaya Biosciences, Inc. (US) 2022-04-06 EP disclosed
US-20210032181-A1 DIFLUOROMETHOXYLATION AND TRIFLUOROMETHOXYLATION COMPOSITIONS AND METHODS FOR SYNTHESIZING SAME THE RESEARCH FOUNDATION FOR THE STATE UNIVERSITY OF NEW YORK (US) 2021-02-04 US disclosed
WO-2020243459-A1 THIADIAZOLYL DERIVATIVES AS DNA POLYMERASE THETA INHIBITORS IDEAYA BIOSCIENCES, INC. (US) 2020-12-03 WO disclosed
WO-2020243459-A1 THIADIAZOLYL DERIVATIVES AS DNA POLYMERASE THETA INHIBITORS IDEAYA BIOSCIENCES, INC. (US) 2020-12-03 WO disclosed
CN-105829307-B Tetrahydroimidazopyridine derivatives as modulators of TNF activity UCB生物制药私人有限公司 2020-07-24 CN disclosed
EP-3080121-B1 FUSED TRICYCLIC BENZIMIDAZOLES DERIVATIVES AS MODULATORS OF TNF ACTIVITY UCB BIOPHARMA SPRL (BE) 2019-09-04 EP disclosed
EP-3080110-B1 TETRAHYDROIMIDAZOPYRIDINE DERIVATIVES AS MODULATORS OF TNF ACTIVITY UCB BIOPHARMA SPRL (BE) 2019-07-10 EP disclosed
US-7385059-B2 4-(2,6-Dichloro-benzoylamino)-1H-pyrazole-3-carboxylic acid piperidin-4-ylamide; anticancer agents; carcinoma of the colon; antifungal agents; antitumor agents; infections ASTEX THERAPEUTICS LIMITED (GB) 2008-06-10 US disclosed
US-7385059-B2 4-(2,6-Dichloro-benzoylamino)-1H-pyrazole-3-carboxylic acid piperidin-4-ylamide; anticancer agents; carcinoma of the colon; antifungal agents; antitumor agents; infections ASTEX THERAPEUTICS LIMITED (GB) 2008-06-10 US disclosed
US-7348427-B2 Antipathogenic benzamide compounds GENESOFT PHARMACEUTICALS, INC. (US) 2008-03-25 US disclosed
WO-2008007123-A2 PHARMACEUTICAL COMPOUNDS ASTEX THERAPEUTICS LIMITED (GB) 2008-01-17 WO disclosed
WO-2006077424-A1 PHARMACEUTICAL COMPOUNDS ASTEX THERAPEUTICS LIMITED (GB) 2006-07-27 WO disclosed
WO-2006077428-A1 PHARMACEUTICAL COMPOUNDS ASTEX THERAPEUTICS LIMITED (GB) 2006-07-27 WO disclosed
WO-2006077419-A1 PYRAZOLE DERIVATIVES FOR THE INHIBITION OF CDK' S AND GSK' S ASTEX THERAPEUTICS LIMITED (GB) 2006-07-27 WO disclosed
WO-2006077425-A1 COMBINATIONS OF PYRAZOLE KINASE INHIBITORS AND FURTHER ANTITUMOR AGENTS ASTEX THERAPEUTICS LIMITED (GB) 2006-07-27 WO disclosed
WO-2006077414-A1 PYRAZOLE DERIVATIVES FOR THE INHIBITION OF CDK' S AND GSK' S ASTEX THERAPEUTICS LIMITED (GB) 2006-07-27 WO disclosed
WO-2005012256-A1 3, 4-DISUBSTITUTED 1H-PYRAZOLE COMPOUNDS AND THEIR USE AS CYCLIN DEPENDENT KINASES (CDK) AND GLYCOGEN SYNTHASE KINASE-3 (GSK-3) MODULATORS ASTEX THERAPEUTICS LIMITED (GB) 2005-02-10 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 (2 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-20210032181-A1 DIFLUOROMETHOXYLATION AND TRIFLUOROMETHOXYLATION COMPOSITIONS AND METHODS FOR SYNTHESIZING SAME AFF2, AFF4, AFF1 IRAK4 4640/4885SMN1; SMN2 3372/4885LMNA 2457/4885
US-11760701-B2 Difluoromethoxylation and trifluoromethoxylation compositions and methods for synthesizing same AFF2, AFF4, AFF1 IRAK4 4640/4885SMN1; SMN2 3372/4885LMNA 2457/4885

“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.