SCHEMBL1970174

SCHEMBL1970174

COC(=O)c1ccnc(Cl)c1Cl

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATR Q13535 1/20 0.56
KDM4E B2RXH2 6/20 0.46
ALDH1A1 P00352 4/20 0.46
GLA P06280 1/20 0.46
GAA P10253 1/20 0.46
PSMD14 O00487 1/20 0.45
ABL1 P00519 1/20 0.42
POLB P06746 1/20 0.42
ATM Q13315 1/20 0.42
MAP2K1 Q02750 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
TSHR P16473 2/20 0.40
LMNA P02545 2/20 0.40
KDM6B O15054 1/20 0.40
KDM5C P41229 1/20 0.40
KDM4C Q9H3R0 1/20 0.40
KDM2A Q9Y2K7 1/20 0.40
KDM3A Q9Y4C1 1/20 0.40
SLC6A4 P31645 1/20 0.40
SLC6A3 Q01959 1/20 0.40

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
Aniline SCHEMBL27821104 0.88 ATR (0.47) ATRKDM4EALDH1A1GLAGAA
SCHEMBL30950090 0.84 ATR (0.55) ATRKDM4EALDH1A1GLAGAA
SCHEMBL31254527 0.84 ATR (0.55) ATRKDM4EALDH1A1GLAGAA
SCHEMBL3546923 0.84 ATR (0.55) ATRKDM4EALDH1A1GLAGAA
SCHEMBL15231394 0.84 ATR (0.55) ATRKDM4EALDH1A1GLAGAA
SCHEMBL23500690 0.84 ATR (0.48) ATRKDM4EALDH1A1GLAGAA
SCHEMBL31132555 0.83 ATR (0.48) ATRKDM4EALDH1A1GLAGAA
SCHEMBL4075916 0.82 ATR (0.47) ATRKDM4EALDH1A1GLAGAA
SCHEMBL1330551 0.82 ATR (0.54) ATRKDM4EALDH1A1GLAGAA
SCHEMBL30211271 0.82 ATR (0.54) ATRKDM4EALDH1A1GLAGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4704830-A2 MRGPRX2 INHIBITORS AND METHODS OF USE THEREOF Septerna, Inc. (US) 2026-03-11 EP disclosed
WO-2024226914-A2 MRGPRX2 ANTAGONISTS AND METHODS OF USE THEREOF SEPTERNA, INC. (US) 2024-10-31 WO disclosed
CN-114829362-A Six-membered and five-membered aromatic ring derivative containing nitrogen heteroatom and used as SHP2 inhibitor 成都倍特药业股份有限公司 2022-07-29 CN disclosed
WO-2021115286-A1 SIX-MEMBERED AND FIVE-MEMBERED AROMATIC RING DERIVATIVE CONTAINING NITROGEN HETEROATOMS WHICH CAN BE USED AS SHP2 INHIBITOR 成都倍特药业股份有限公司 2021-06-17 WO disclosed
WO-2021115286-A1 SIX-MEMBERED AND FIVE-MEMBERED AROMATIC RING DERIVATIVE CONTAINING NITROGEN HETEROATOMS WHICH CAN BE USED AS SHP2 INHIBITOR 成都倍特药业股份有限公司 2021-06-17 WO disclosed
CN-107018662-A 6,7 dihydro-pyrazolos [1,5 a] pyrazine 4 (5H) assimilation compound and its purposes as the negativity allosteric modulator of MGLUR2 acceptors 詹森药业有限公司 2017-08-04 CN disclosed
EP-1697308-B1 PHENYLAMIDE AND PYRIDYLAMIDE BETA-SECRETASE INHIBITORS FOR THE TREATMENT OF ALZHEIMER'S DISEASE MERCK SHARP & DOHME (US) 2014-03-19 EP disclosed
CN-101868457-B (3-hydroxy-4-amino-but-2-yl) -3- (2-thiazol-2-yl-pyrrolidine-1-carbonyl) benzamide derivatives and related compounds as beta-secretase inhibitors for use in therapy COMENTIS INC 2013-02-13 CN disclosed
US-8293763-B2 8-anilinoimidazopyridines and their use as anti-cancer and/or anti-inflammatory agents GENENTECH, INC. (US) 2012-10-23 US disclosed
US-8293763-B2 8-anilinoimidazopyridines and their use as anti-cancer and/or anti-inflammatory agents GENENTECH, INC. (US) 2012-10-23 US disclosed
US-20070142634-A1 Phenylamide and pyridylamide beta-secretase inhibitors for the treatment of alzheimer's disease MERCK SHARP & DOHME LLC 2007-06-21 US disclosed
CN-1942467-A 2, 4, 6-substituted pyridyl derivative compounds useful as beta-secretase inhibitors for the treatment of Alzheimer's disease MERCK & CO INC (US) 2007-04-04 CN disclosed
CN-1898199-A Phenylamide and pyridylamide beta-secretase inhibitors for the treatment of alzheimer's disease MERCK & CO INC (US) 2007-01-17 CN disclosed
CN-1882544-A Benzylether and benzylamino beta-secretase inhibitors for the treatment of alzheimer s disease MERCK & CO INC (US) 2006-12-20 CN disclosed
EP-1697308-A2 PHENYLAMIDE AND PYRIDYLAMIDE BETA-SECRETASE INHIBITORS FOR THE TREATMENT OF ALZHEIMER S DISEASE Merck & Co., Inc. (US) 2006-09-06 EP disclosed
CN-1653042-A Aminoalcohol derivatives as beta-3 adrenergic receptor agonists FUJISAWA PHARMACEUTICAL CO (JP) 2005-08-10 CN disclosed
WO-2005065195-A2 PHENYLAMIDE AND PYRIDYLAMIDE BETA-SECRETASE INHIBITORS FOR THE TREATMENT OF ALZHEIMER'S DISEASE MERCK & CO., INC. (US) 2005-07-21 WO disclosed
US-20050090669-A1 Aminoalcohol derivatives as beta-3 adrenergic receptor agonists ASTELLAS PHARMA INC. (JP) 2005-04-28 US disclosed
EP-1483236-A1 AMINOALCOHOL DERIVATIVES AS BETA-3 ADRENERGIC RECEPTOR AGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-12-08 EP disclosed
WO-2003076397-A1 AMINOALCOHOL DERIVATIVES AS BETA-3 ADRENERGIC RECEPTOR AGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2003-09-18 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-20070142634-A1 Phenylamide and pyridylamide beta-secretase inhibitors for the treatment of alzheimer's disease BACE1, BACE2, APP ATR 3024/4885KDM4E 1217/4885ALDH1A1 1506/4885
US-20050090669-A1 Aminoalcohol derivatives as beta-3 adrenergic receptor agonists ADRB2, ADRB1, ADRB3 ATR 2675/4885KDM4E 1833/4885ALDH1A1 664/4885

“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.