SCHEMBL2971332

SCHEMBL2971332

C#Cc1cccc(OCCOC)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 9/20 0.46
▸ ILK Q13418 5/20 0.46
▸ ERBB2 P04626 3/20 0.46
▸ GAK O14976 2/20 0.46
▸ SYK P43405 2/20 0.46
▸ PLK4 O00444 1/20 0.46
▸ CIT O14578 1/20 0.46
▸ AURKA O14965 1/20 0.46
▸ EPHB6 O15197 1/20 0.46
▸ SLC22A1 O15245 1/20 0.46
▸ DAPK3 O43293 1/20 0.46
▸ RIPK2 O43353 1/20 0.46
▸ BUB1 O43683 1/20 0.46
▸ KDM1A O60341 1/20 0.46
▸ JAK2 O60674 1/20 0.46
▸ RPS6KA4 O75676 1/20 0.46
▸ STK17B O94768 1/20 0.46
▸ STK10 O94804 1/20 0.46
▸ SLCO2B1 O94956 1/20 0.46
▸ ABCB11 O95342 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
SCHEMBL30924197 1.00 EGFR (0.46) EGFRILKERBB2GAKSYK
SCHEMBL6089720 0.89 EGFR (0.41) EGFRILKERBB2GAKSYK
SCHEMBL6358005 0.84 FFAR1 (0.37) EGFRILKERBB2GAKSYK
SCHEMBL1772406 0.83 EGFR (0.45) EGFRILKLMNACYP3A4MAPK1
SCHEMBL29996269 0.83 TBXAS1 (0.52) MAPK1CYP1A2CYP2D6CYP2C19
SCHEMBL2908379 0.83 TBXAS1 (0.52) MAPK1CYP1A2CYP2D6CYP2C19
SCHEMBL16957855 0.83 MAPK1 (0.43) SYKLMNAMAPK1CYP1A2CYP2D6
SCHEMBL15723552 0.81 MAPK1 (0.58) SYKLMNACYP3A4MAPK1CYP1A2
SCHEMBL14698298 0.81 KCNH2 (0.41) EGFRALDH1A1
SCHEMBL2935432 0.81 FABP7 (0.40) EGFRERBB2LMNAMAPK1MAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240382465-A1 AROMATIC ACETYLENE DERIVATIVE, AND PREPARATION METHOD THEREFOR AND USE THEREOF ZHEJIANG HISUN PHARMACEUTICAL CO., LTD. (CN) 2024-11-21 — — US disclosed
EP-4382527-A1 AROMATIC ACETYLENE DERIVATIVE, AND PREPARATION METHOD THEREFOR AND USE THEREOF Zhejiang Hisun Pharmaceutical Co., Ltd. (CN) 2024-06-12 — — EP disclosed
CN-117769548-A Aromatic acetylene derivative and preparation method and application thereof 浙江海正药业股份有限公司 2024-03-26 — — CN disclosed
WO-2023011574-A1 AROMATIC ACETYLENE DERIVATIVE, AND PREPARATION METHOD THEREFOR AND USE THEREOF 浙江海正药业股份有限公司 2023-02-09 — — WO disclosed
WO-2023011574-A1 AROMATIC ACETYLENE DERIVATIVE, AND PREPARATION METHOD THEREFOR AND USE THEREOF 浙江海正药业股份有限公司 2023-02-09 — — WO disclosed
CN-107344940-B BTK inhibitors and uses thereof 广东东阳光药业有限公司 2020-04-21 — — CN disclosed
CN-101208339-B Heterocyclic benzylamino derivatives, their manufacture and use as pharmaceutical agents HOFFMANN LA ROCHE 2010-12-29 — — CN disclosed
CN-101830899-A Heterocyclic carbamate derivatives, their manufacture and use as pharmaceutical agents HOFFMANN LA ROCHE 2010-09-15 — — CN disclosed
US-7786113-B2 Heterocyclic carbamate derivatives, their manufacture and use as pharmaceutical agents HOFFMAN-LA ROCHE INC. (US) 2010-08-31 — — US disclosed
US-7776878-B2 Heterocyclic benzylamino derivatives, their manufacture and use as pharmaceutical agents HOFFMANN-LA ROCHE INC. (US) 2010-08-17 — — US disclosed
EP-1912987-A1 HETEROCYCLIC BENZYLAMINO DERIVATIVES, THEIR MANUFACTURE AND USE AS PHARMACEUTICAL AGENTS F. Hoffmann-Roche AG (CH) 2008-04-23 — — EP disclosed
US-20080039460-A1 Benzamide Derivatives, Their Manufacture and Use as Pharmaceutical Agents F. HOFFMANN-LA ROCHE AG (CH) 2008-02-14 — — US disclosed
US-20080009492-A1 Heterocyclic Carbamate Derivatives, Their Manufacture And Use As Pharmaceutical Agents F. HOFFMANN-LA ROCHE AG, A SWISS COMPANY (CH) 2008-01-10 — — US disclosed
CN-101087787-A Heterocyclic carbamate derivatives, their manufacture and use as pharmaceutical agents HOFFMANN LA ROCHE (CH) 2007-12-12 — — CN disclosed
CN-101087786-A Heterocyclic carbamate derivatives, their preparation and use as pharmaceutical agents HOFFMANN LA ROCHE (CH) 2007-12-12 — — CN disclosed
EP-1833829-A2 BENZAMIDE SUBSTITUTED IMIDAZO- AND PYRROLO-PYRIDINES AS PROTEIN KINASE INHIBITORS F. Hoffmann-Roche AG (CH) 2007-09-19 — — EP disclosed
EP-1831218-A2 CARBAMATE SUBSTITUTED IMIDAZO- AND PYRROLO-PYRIDINES AS PROTEIN KINASE INHIBITORS F.HOFFMANN-LA ROCHE AG (CH) 2007-09-12 — — EP disclosed
WO-2007014707-A1 HETEROCYCLIC BENZYLAMINO DERIVATIVES, THEIR MANUFACTURE AND USE AS PHARMACEUTICAL AGENTS F. HOFFMANN-LA ROCHE AG (CH) 2007-02-08 — — WO disclosed
WO-2006066914-A2 CARBAMATE SUBSTITUTED IMIDAZO- AND PYRROLO-PYRIDINES AS PROTEIN KINASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2006-06-29 — — WO disclosed
WO-2006066913-A2 BENZAMIDE SUBSTITUTED IMIDAZO- AND PYROLO-PYRIDINES AS PROTEIN KINASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2006-06-29 — — 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 (3 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-20240382465-A1 AROMATIC ACETYLENE DERIVATIVE, AND PREPARATION METHOD THEREFOR AND USE THEREOF FAR1, ACAD11, ACOX1 EGFR 4269/4885ILK 1106/4885ERBB2 4488/4885
US-20080009492-A1 Heterocyclic Carbamate Derivatives, Their Manufacture And Use As Pharmaceutical Agents RCC2, ACMSD, CPS1 EGFR 3427/4885ILK 4225/4885ERBB2 3530/4885
US-20080039460-A1 Benzamide Derivatives, Their Manufacture and Use as Pharmaceutical Agents TMBIM6, BAK1, CYP3A5 EGFR 1527/4885ILK 4718/4885ERBB2 1706/4885

“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.

Send feedback