SCHEMBL3422335

SCHEMBL3422335

CC(=O)NN1CCOCC1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.50
CA1 P00915 2/20 0.50
CA2 P00918 2/20 0.50
CA9 Q16790 2/20 0.50
CYP2D6 P10635 1/20 0.50
SMN1; SMN2 Q16637 3/20 0.48
EPHX2 P34913 1/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
HTT P42858 2/20 0.42
LIPE Q05469 1/20 0.42
L3MBTL1 Q9Y468 2/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 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
Hydrochloric Acid SCHEMBL28247897 0.98 CYP2D6 (0.49) CA12CA1CA2CA9CYP2D6
SCHEMBL28247895 0.98 CYP2D6 (0.49) CA12CA1CA2CA9CYP2D6
Iodide SCHEMBL28247499 0.98 CYP2D6 (0.49) CA12CA1CA2CA9CYP2D6
SCHEMBL9613513 0.82
SCHEMBL1147606 0.79 CYP2D6 (0.45) CA12CA1CA2CA9CYP2D6
SCHEMBL9233647 0.79 CYP2D6 (0.45) CA12CA1CA2CA9CYP2D6
SCHEMBL2413232 0.79 CYP2D6 (0.45) CA12CA1CA2CA9CYP2D6
SCHEMBL698258 0.78 CA12 (0.52) CA12CA1CA2CA9CYP2D6
SCHEMBL698257 0.78 CA12 (0.52) CA12CA1CA2CA9CYP2D6
SCHEMBL28524553 0.77 SMN1; SMN2 (0.45) CA12CA1CA2CA9CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109575045-A Thienopyrimidines, preparation method, Pharmaceutical composition and its application 南京红云生物科技有限公司 2019-04-05 CN claimed
CN-108042546-A Morpholinyl acetylamino benzo [d] azepine * bases quinazoline compounds are preparing the application in treating uterine neck cancer drug 浙江工业大学 2018-05-18 CN claimed
CN-108017621-A Morpholinyl acetylamino dimethoxy benzo [d] azepine * bases quinazoline compounds and preparation and application 浙江工业大学 2018-05-11 CN claimed
CN-107698603-A Thienopyrimidines, its preparation method, Pharmaceutical composition and its application 厦门大学 2018-02-16 CN claimed
US-20110306572-A1 COMBINATION THERAPY FOR THE TREATMENT OF CANCER USING COX-2 INHIBITORS AND DUAL InHIBITORS OF EGFR [ErbB1] AND HER-2 [ErbB2] TRAGARA PHARMACEUTICALS, INC (US) 2011-12-15 US claimed
EP-0912570-B1 BICYCLIC HETEROAROMATIC COMPOUNDS AS PROTEIN TYROSINE KINASE INHIBITORS GLAXO GROUP LTD (GB) 2003-09-10 EP claimed
EP-0912572-B1 BICYCLIC HETEROAROMATIC COMPOUNDS AS PROTEIN TYROSINE KINASE INHIBITORS GLAXO GROUP LTD (GB) 2003-01-15 EP claimed
US-6391874-B1 ANTICARCINOGENIC AGENTS; SKIN DISORDERS SMITHKLINE BEECHAM CORPORATION 2002-05-21 US claimed
US-6207669-B1 IN TREATMENT OF CANCER AND PSORIASIS GLAXO WELLCOME INC. 2001-03-27 US claimed
US-6174889-B1 PROTEIN TYROSINE KINASE INHIBITORS RELATED TO BIOISOSTERES OF QUINOLINE AND QUINAZOLINE DERIVATIVES; ANTICARCINOGENIC AND -TUMOR AGENTS; PSORIASIS; RESTENOSIS; RHEUMATOID ARTHRITIS, AUTOIMMUNE DISEASE, ALLERGY, ASTHMA AND GRAFT REJECTION GLAXO WELLCOME INC. 2001-01-16 US claimed
EP-0912559-A1 FUSED HETEROCYCLIC COMPOUNDS AS PROTEIN TYROSINE KINASE INHIBITORS GLAXO GROUP LIMITED (GB) 1999-05-06 EP claimed
WO-1998002434-A1 FUSED HETEROCYCLIC COMPOUNDS AS PROTEIN TYROSINE KINASE INHIBITORS GLAXO GROUP LIMITED (GB) 1998-01-22 WO claimed
US-5688913-A OLIGOPEPTIDES AS ANTIINFLAMMATORY AGENTS CYTEL CORPORATION (US) 1997-11-18 US claimed
EP-4417607-A1 HETEROCYCLIC COMPOUND AS SOS1 INHIBITOR AND USES THEREOF Nanjing Zaiming Pharmaceutical Co., Ltd. (CN) 2024-08-21 EP disclosed
CN-117957226-A Heterocyclic compounds as SOS1 inhibitors and uses thereof 南京再明医药有限公司 2024-04-30 CN disclosed
WO-2023041049-A1 HETEROCYCLIC COMPOUND AS SOS1 INHIBITOR AND USES THEREOF 江苏先声药业有限公司 2023-03-23 WO disclosed
EP-0061623-A1 Process for dyeing or printing paper, and cationic phthalocyanine dyes BASF Aktiengesellschaft (DE) 1982-10-06 EP disclosed
US-4266003-A Silver halide photographic emulsions FUJI PHOTO FILM CO., LTD. (JP) 1981-05-05 US disclosed
US-4252801-A ANTIARRHYTHMIA AGENTS E. R. SQUIBB & SONS, INC. (US) 1981-02-24 US disclosed
US-4252801-A ANTIARRHYTHMIA AGENTS E. R. SQUIBB & SONS, INC. (US) 1981-02-24 US 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 (1 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-20110306572-A1 COMBINATION THERAPY FOR THE TREATMENT OF CANCER USING COX-2 INHIBITORS AND DUAL InHIBITORS OF EGFR [ErbB1] AND HER-2 [ErbB2] ERBB2, EGFR, ERBB3 CA12 505/4885CA1 1238/4885CA2 188/4885

“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.