SCHEMBL392298

SCHEMBL392298

COC(=O)c1ccc(C#N)cc1Cl

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FLT1 P17948 1/20 0.51
FLT4 P35916 1/20 0.51
KDR P35968 1/20 0.51
MRGPRX4 Q96LA9 1/20 0.51
ABL1 P00519 1/20 0.46
AR P10275 2/20 0.45
PDK2 Q15119 2/20 0.45
PDK4 Q16654 2/20 0.45
PDK1 Q15118 1/20 0.45
PDK3 Q15120 1/20 0.45
AVPR2 P30518 1/20 0.44
GPR27 Q9NS67 1/20 0.44
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA7 P43166 1/20 0.42
CA9 Q16790 1/20 0.42
CA14 Q9ULX7 1/20 0.42
TRPM4 Q8TD43 1/20 0.41
GAA P10253 3/20 0.41

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
SCHEMBL1179997 0.87 MEN1 (0.49) FLT1FLT4KDRMRGPRX4ABL1
SCHEMBL2773888 0.84 MRGPRX4 (0.43) FLT1FLT4KDRMRGPRX4ABL1
SCHEMBL11520744 0.84 CA12 (0.46) MRGPRX4ABL1ARPDK2PDK4
SCHEMBL2333339 0.83 ABL1 (0.46) FLT1FLT4KDRABL1PDK2
SCHEMBL16956211 0.83 ABL1 (0.46) FLT1FLT4KDRABL1PDK2
SCHEMBL10411246 0.83 ABL1 (0.46) FLT1FLT4KDRABL1PDK2
SCHEMBL12670851 0.83 FLT1 (0.45) FLT1FLT4KDRMRGPRX4AR
SCHEMBL14393267 0.83 FLT1 (0.45) FLT1FLT4KDRMRGPRX4AR
SCHEMBL7992182 0.83 CYP4F2 (0.48) FLT1FLT4KDRCA12CA1
SCHEMBL409948 0.81 MEN1 (0.50) PDK2PDK4GPR27CA12CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1391476-A Vasopressin agonist formulation and process AMERICAN CYANAMID CO (US) 2003-01-15 CN claimed
CN-112955448-B Aromatic ring or aromatic heterocyclic compound and preparation method and medical application thereof 中国医药研究开发中心有限公司 2023-02-03 CN disclosed
EP-3104702-B1 FACTOR XIA INHIBITORS MERCK SHARP & DOHME LLC (US) 2022-08-10 EP disclosed
US-20220127258-A1 AROMATIC RING OR HETEROAROMATIC RING COMPOUNDS, PREPARATION METHOD THEREFOR AND MEDICAL USE THEREOF The National Institutes of Pharmaceutical R&D Co., Ltd. (CN) 2022-04-28 US disclosed
EP-3919489-A1 AROMATIC RING OR HETEROAROMATIC RING COMPOUNDS, PREPARATION METHOD THEREFOR AND MEDICAL USE THEREOF The National Institutes of Pharmaceutical R&D Co., Ltd (CN) 2021-12-08 EP disclosed
CN-112955448-A Aromatic ring or aromatic heterocyclic compound and preparation method and medical application thereof 中国医药研究开发中心有限公司 2021-06-11 CN disclosed
WO-2020156241-A1 AROMATIC RING OR HETEROAROMATIC RING COMPOUNDS, PREPARATION METHOD THEREFOR AND MEDICAL USE THEREOF 中国医药研究开发中心有限公司 2020-08-06 WO disclosed
CN-109563057-A Sulfonamide compounds or its salt 大鹏药品工业株式会社 2019-04-02 CN disclosed
CN-109071484-A Molecule with desinsection effectiveness, and intermediate relevant to these molecules, composition and method 美国陶氏益农公司 2018-12-21 CN disclosed
US-10112936-B2 Five-membered heterocycles useful as serine protease inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2018-10-30 US disclosed
US-6194407-B1 INCONTINENCE AMERICAN HOME PRODUCTS CORPORATION 2001-02-27 US disclosed
CN-1272111-A Tricyclic vasopressin agonists AMERICAN HOME PROD (US) 2000-11-01 CN disclosed
CN-1272110-A Tricyclic vasopressin agonists AMERICAN HOME PROD (US) 2000-11-01 CN disclosed
WO-2000046224-A2 TRICYCLIC PYRIDINE N-OXIDES VASOPRESSIN AGONISTS AMERICAN HOME PRODUCTS CORPORATION (US) 2000-08-10 WO disclosed
US-6090803-A ANTIDIABETIC AGENTS; INCONTINENCE AMERICAN HOME PRODUCTS CORPORATION (US) 2000-07-18 US disclosed
CN-1254335-A Nicotinamide derivatives PFIZER PROD INC (US) 2000-05-24 CN disclosed
EP-1000059-A1 TRICYCLIC VASOPRESSIN AGONISTS AMERICAN HOME PRODUCTS CORPORATION (US) 2000-05-17 EP disclosed
EP-0971894-A1 NICOTINAMIDE DERIVATIVES Pfizer Products Inc. (US) 2000-01-19 EP disclosed
WO-1999006403-A1 TRICYCLIC VASOPRESSIN AGONISTS AMERICAN HOME PRODUCTS CORPORATION (US) 1999-02-11 WO disclosed
WO-1998045268-A1 NICOTINAMIDE DERIVATIVES PFIZER PRODUCTS INC. (US) 1998-10-15 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-10112936-B2 Five-membered heterocycles useful as serine protease inhibitors F12, F11, F5 FLT1 896/4885FLT4 899/4885KDR 2563/4885
US-20220127258-A1 AROMATIC RING OR HETEROAROMATIC RING COMPOUNDS, PREPARATION METHOD THEREFOR AND MEDICAL USE THEREOF CYP46A1, NR1H4, CYP7A1 FLT1 523/4885FLT4 873/4885KDR 1161/4885

“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.