SCHEMBL3487800

SCHEMBL3487800

C=CC(=O)N1CCC[C@@H](C)C1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.54
LMNA P02545 2/20 0.54
HPGD P15428 5/20 0.52
SMN1; SMN2 Q16637 5/20 0.52
NPC1 O15118 1/20 0.52
RAB9A P51151 1/20 0.52
POLB P06746 3/20 0.50
MEN1 O00255 1/20 0.50
MAPT P10636 1/20 0.50
KMT2A Q03164 1/20 0.50
RECQL P46063 1/20 0.47
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
GAA P10253 1/20 0.41
HSD17B10 Q99714 1/20 0.41
JAK3 P52333 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
SCHEMBL1687921 1.00 ALDH1A1 (0.54) ALDH1A1LMNAHPGDSMN1; SMN2NPC1
SCHEMBL13498450 1.00 ALDH1A1 (0.54) ALDH1A1LMNAHPGDSMN1; SMN2NPC1
SCHEMBL19240726 0.95 ALDH1A1 (0.49) ALDH1A1LMNAHPGDSMN1; SMN2NPC1
SCHEMBL19240725 0.95 ALDH1A1 (0.49) ALDH1A1LMNAHPGDSMN1; SMN2NPC1
SCHEMBL19240724 0.95 ALDH1A1 (0.49) ALDH1A1LMNAHPGDSMN1; SMN2NPC1
SCHEMBL15080935 0.89 ALDH1A1 (0.41) ALDH1A1LMNAHPGDSMN1; SMN2NPC1
SCHEMBL15726987 0.89 ALDH1A1 (0.41) ALDH1A1LMNAHPGDSMN1; SMN2NPC1
SCHEMBL1687958 0.89 ALDH1A1 (0.41) ALDH1A1LMNAHPGDSMN1; SMN2NPC1
SCHEMBL25200465 0.85 ALDH1A1 (0.43) ALDH1A1LMNAHPGDSMN1; SMN2NPC1
SCHEMBL22296232 0.85 ALDH1A1 (0.43) ALDH1A1LMNAHPGDSMN1; SMN2NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230009153-A1 PYRROLO[2,3-D]PYRIMIDINYL, PYRROLO[2,3-B]PYRAZINYL AND PYRROLO[2,3-D]PYRIDINYL ACRYLAMIDES PFIZER INC. (US) 2023-01-12 US disclosed
EP-3414234-B1 BRUTON'S TYROSINE KINASE INHIBITORS ZIBO BIOPOLAR CHANGSHENG PHARMACEUTICAL CO LTD (CN) 2022-06-29 EP disclosed
EP-3426637-B1 COMPOUNDS AND METHODS FOR MODULATING BRUTON'S TYROSINE KINASE ANGEL PHARMACEUTICAL CO LTD (CN) 2022-02-09 EP disclosed
WO-2021252339-A1 SUBSTITUTED PURINE-2,6-DIONE COMPOUNDS AS KRAS INHIBITORS ACCUTAR BIOTECHNOLOGY, INC. (US) 2021-12-16 WO disclosed
US-11186578-B2 Substituted pyrrolo[3,2-d]pyrimidines and pyrazolo[4,3-d]pyrimidines as tyrosine kinase inhibitors SHENZHEN TARGETRX, INC. (CN) 2021-11-30 US disclosed
US-11155546-B2 4,6,7-trisubstituted 1,2-dihydropyrrolo[3,4-c]pyridin/pyrimidin-3-one derivatives and uses thereof SHANGHAI HAIYAN PHARMACEUTICAL TECHNOLOGY CO., LTD. (CN) 2021-10-26 US disclosed
US-11111242-B2 Pyrrolo[2,3-d]pyrimidinyl, pyrrolo[2,3-b]pyrazinyl and pyrrolo[2,3-d]pyridinyl acrylamides PFIZER INC. (US) 2021-09-07 US disclosed
EP-3851438-A1 BTK INHIBITOR, PHARMACEUTICALLY ACCEPTABLE SALT, POLYMORPH AND APPLICATION THEREOF Shanghai Haiyan Pharmaceutical Technology Co., Ltd (CN) 2021-07-21 EP disclosed
US-20210070758-A1 FUSED BICYCLIC COMPOUND FOR INHIBITING ACTIVITY OF TYROSINE KINASE Shenzhen TargetRx. Inc. (CN) 2021-03-11 US disclosed
EP-3715346-A1 THIAZOLYL-CONTAINING COMPOUNDS FOR TREATING PROLIFERATIVE DISEASES Dana-Farber Cancer Institute (US) 2020-09-30 EP disclosed
US-8552010-B2 Inhibitors of Bruton'S tyrosine kinase PHARMACYCLICS, INC. (US) 2013-10-08 US disclosed
US-8497277-B2 Inhibitors of Bruton's tyrosine kinase PHARMACYCLICS, INC. (US) 2013-07-30 US disclosed
US-8476284-B2 Inhibitors of Bruton's tyrosine kinase PHARMACYCLICS, INC. (US) 2013-07-02 US disclosed
US-20130065899-A1 HETEROARYL COMPOUNDS AND USES THEREOF CELGENE AVILOMICS RESEARCH, INC. (US) 2013-03-14 US disclosed
WO-2012170976-A2 COMPOSITIONS AND METHODS FOR THE PRODUCTION OF PYRIMIDINE AND PYRIDINE COMPOUNDS WITH BTK INHIBITORY ACTIVITY MERCK PATENT GMBH (DE) 2012-12-13 WO disclosed
EP-2526933-A2 Inhibitors of bruton's tyrosine kinase Pharmacyclics, Inc. (US) 2012-11-28 EP disclosed
EP-2526934-A2 Inhibitors of bruton's tyrosine kinase Pharmacyclics, Inc. (US) 2012-11-28 EP disclosed
EP-2526771-A1 Inhibitors of bruton's tyrosine kinase Pharmacyclics, Inc. (US) 2012-11-28 EP disclosed
US-20120101113-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE PHARMACYCLICS, INC. (US) 2012-04-26 US disclosed
US-20100249092-A1 HETEROARYL COMPOUNDS AND USES THEREOF AVILA THERAPEUTICS, INC. (US) 2010-09-30 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 (8 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-11186578-B2 Substituted pyrrolo[3,2-d]pyrimidines and pyrazolo[4,3-d]pyrimidines as tyrosine kinase inhibitors LCK, BTK, BRAF ALDH1A1 3535/4885LMNA 4628/4885HPGD 2000/4885
US-20100249092-A1 HETEROARYL COMPOUNDS AND USES THEREOF ABCG2, CYP3A43, CYP3A5 ALDH1A1 684/4885LMNA 2409/4885HPGD 1580/4885
US-11111242-B2 Pyrrolo[2,3-d]pyrimidinyl, pyrrolo[2,3-b]pyrazinyl and pyrrolo[2,3-d]pyridinyl acrylamides JAK2, JAK3, JAK1 ALDH1A1 1079/4885LMNA 4103/4885HPGD 1336/4885
US-11155546-B2 4,6,7-trisubstituted 1,2-dihydropyrrolo[3,4-c]pyridin/pyrimidin-3-one derivatives and uses thereof CYP2D6, DPYD, TPMT ALDH1A1 312/4885LMNA 3203/4885HPGD 379/4885
US-20230009153-A1 PYRROLO[2,3-D]PYRIMIDINYL, PYRROLO[2,3-B]PYRAZINYL AND PYRROLO[2,3-D]PYRIDINYL ACRYLAMIDES JAK2, JAK3, JAK1 ALDH1A1 1206/4885LMNA 4515/4885HPGD 800/4885
US-20130065899-A1 HETEROARYL COMPOUNDS AND USES THEREOF ABCG2, CYP3A43, CYP3A5 ALDH1A1 684/4885LMNA 2409/4885HPGD 1580/4885
US-20210070758-A1 FUSED BICYCLIC COMPOUND FOR INHIBITING ACTIVITY OF TYROSINE KINASE LCK, BTK, LYN ALDH1A1 4246/4885LMNA 4105/4885HPGD 3246/4885
US-20120101113-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE ABL1, BTK, ABL2 ALDH1A1 4117/4885LMNA 2541/4885HPGD 3546/4885

“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.