SCHEMBL4726690

SCHEMBL4726690

COC(=O)c1cc(N)nc(Cl)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.50
KDM4E B2RXH2 6/20 0.50
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA7 P43166 1/20 0.46
CA9 Q16790 1/20 0.46
CA14 Q9ULX7 1/20 0.46
TP53 P04637 1/20 0.46
L3MBTL1 Q9Y468 3/20 0.44
GAA P10253 2/20 0.44
LMNA P02545 2/20 0.44
POLB P06746 1/20 0.44
NFKB1 P19838 1/20 0.44
XDH P47989 1/20 0.44
GFER P55789 1/20 0.44
NFKB2 Q00653 1/20 0.44
RELA Q04206 1/20 0.44
FUT7 Q11130 1/20 0.44
TDP1 Q9NUW8 1/20 0.44

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
SCHEMBL4778188 0.87 KDM4E (0.59) ALDH1A1KDM4ECA12CA1CA2
SCHEMBL569249 0.87 ALDH1A1 (0.59) ALDH1A1KDM4ECA12CA1CA2
Hydrochloric Acid SCHEMBL29890892 0.85 ALDH1A1 (0.57) ALDH1A1KDM4ECA12CA1CA2
SCHEMBL14479830 0.81 KDM4E (0.53) ALDH1A1KDM4ECA12CA1CA2
SCHEMBL29371765 0.81 KDM4E (0.53) ALDH1A1KDM4ECA12CA1CA2
SCHEMBL2532558 0.81 CA12 (0.50) ALDH1A1CA12CA1CA2CA7
SCHEMBL31368540 0.80 ALDH1A1 (0.52) ALDH1A1KDM4ECA12CA1CA2
SCHEMBL1179017 0.80 ALDH1A1 (0.52) ALDH1A1KDM4ECA12CA1CA2
SCHEMBL21200349 0.80 KDM4E (0.52) ALDH1A1KDM4ECA12CA1CA2
SCHEMBL1291158 0.80 KDM4E (0.52) ALDH1A1KDM4ECA12CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4680607-A1 BICYCLIC UREAS AS KINASE INHIBITORS Incyte Corporation (US) 2026-01-21 EP disclosed
US-12195472-B2 Substituted indole Mcl-1 inhibitors VANDERBILT UNIVERSITY (US) 2025-01-14 US disclosed
US-12139497-B2 Aryl, heteroaryl, and heterocyclic compounds for treatment of medical disorders ACHILLION PHARMACEUTICALS, INC. (US) 2024-11-12 US disclosed
US-20240317744-A1 Bicyclic Ureas As Kinase Inhibitors INCYTE CORPORATION 2024-09-26 US disclosed
WO-2024191996-A1 BICYCLIC UREAS AS KINASE INHIBITORS INCYTE CORPORATION (US) 2024-09-19 WO disclosed
CN-107531698-B Fused bicyclic heteroaryl derivatives having activity as PHD inhibitors 武田药品工业株式会社 2024-08-13 CN disclosed
US-20240148732-A1 TRICYCLIC COMPOUNDS USEFUL IN THE TREATMENT OF CANCER, AUTOIMMUNE AND INFLAMMATORY DISORDERS SCHRÖDINGER, INC. 2024-05-09 US disclosed
EP-4284804-A1 TRICYCLIC COMPOUNDS USEFUL IN THE TREATMENT OF CANCER, AUTOIMMUNE AND INFLAMMATORY DISORDERS Schrödinger, Inc. (US) 2023-12-06 EP disclosed
CN-117120442-A Tricyclic compounds useful for treating cancer, autoimmune disorders, and inflammatory disorders 薛定谔公司 2023-11-24 CN disclosed
US-20230287005-A1 ARYL, HETEROARYL, AND HETEROCYCLIC COMPOUNDS FOR TREATMENT OF MEDICAL DISORDERS ACHILLION PHARMACEUTICALS, INC. 2023-09-14 US disclosed
CN-105980378-A Sulfamoyl pyrrole amide derivative and application thereof as medicine for treating hepatitis B 爱尔兰詹森科学公司 2016-09-28 CN disclosed
WO-2016148306-A1 FUSED BICYCLIC HETEROARYL DERIVATIVES HAVING ACTIVITY AS PHD INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-09-22 WO disclosed
WO-2016148306-A1 FUSED BICYCLIC HETEROARYL DERIVATIVES HAVING ACTIVITY AS PHD INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-09-22 WO disclosed
US-20150284384-A1 RING-FUSED HETEROCYCLIC COMPOUND KYOWA KIRIN CO., LTD. (JP) 2015-10-08 US disclosed
WO-2015148854-A1 SUBSTITUTED INDOLE MCL-1 INHIBITORS VANDERBILT UNIVERSITY (US) 2015-10-01 WO disclosed
WO-2015118057-A1 SULPHAMOYLPYRROLAMIDE DERIVATIVES AND THE USE THEREOF AS MEDICAMENTS FOR THE TREATMENT OF HEPATITIS B JANSSEN SCIENCES IRELAND UC (IE) 2015-08-13 WO disclosed
EP-2881394-A1 CONDENSED RING HETEROCYCLIC COMPOUND Kyowa Hakko Kirin Co., Ltd. (JP) 2015-06-10 EP disclosed
CN-104619707-A Condensed ring heterocyclic compound KYOWA HAKKO KIRIN CO LTD 2015-05-13 CN disclosed
WO-2011159864-A1 JTE013 ANALOGS AND METHODS OF MAKING AND USING SAME BRACCO IMAGING S.P.A. (IT) 2011-12-22 WO disclosed
WO-2008015196-A1 5-,7-BIS-SUBSTITUTED IMIDAZO[1,2-A]PYRIDINES NYCOMED GMBH (DE) 2008-02-07 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 (6 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-20230287005-A1 ARYL, HETEROARYL, AND HETEROCYCLIC COMPOUNDS FOR TREATMENT OF MEDICAL DISORDERS CFD, F12, F3 ALDH1A1 1847/4885KDM4E 4286/4885CA12 4260/4885
US-20240148732-A1 TRICYCLIC COMPOUNDS USEFUL IN THE TREATMENT OF CANCER, AUTOIMMUNE AND INFLAMMATORY DISORDERS MALT1, LITAF, IL2 ALDH1A1 646/4885KDM4E 3981/4885CA12 272/4885
US-20240317744-A1 Bicyclic Ureas As Kinase Inhibitors JAK2, UCK2, ULK2 ALDH1A1 3820/4885KDM4E 800/4885CA12 4580/4885
US-12195472-B2 Substituted indole Mcl-1 inhibitors MCL1, BCL2L1, BCL3 ALDH1A1 1900/4885KDM4E 814/4885CA12 4753/4885
US-20150284384-A1 RING-FUSED HETEROCYCLIC COMPOUND TRPV1, TRPV2, TRPV3 ALDH1A1 4202/4885KDM4E 3471/4885CA12 2480/4885
US-12139497-B2 Aryl, heteroaryl, and heterocyclic compounds for treatment of medical disorders CFD, F12, F3 ALDH1A1 1682/4885KDM4E 4387/4885CA12 4479/4885

“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.