SCHEMBL18455437

SCHEMBL18455437

CN(C)C/C=C/C(=O)N1CCCC1

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 2/20 0.41
HPGD P15428 2/20 0.40
MAPT P10636 3/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
ALDH1A1 P00352 3/20 0.38
MEN1 O00255 2/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
KMT2A Q03164 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
POLB P06746 1/20 0.38
EGFR P00533 1/20 0.38
TRPV1 Q8NER1 1/20 0.37

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
SCHEMBL17150911 0.98 JAK3 (0.41) JAK3HPGDMAPTL3MBTL1ALDH1A1
SCHEMBL19190232 0.98 JAK3 (0.41) JAK3HPGDMAPTL3MBTL1ALDH1A1
SCHEMBL24244462 0.96 MAPT (0.41) JAK3MAPTL3MBTL1ALDH1A1MEN1
SCHEMBL19190151 0.85 RAB9A (0.41) JAK3HPGDMAPTL3MBTL1ALDH1A1
SCHEMBL16078787 0.85 POLB (0.45) L3MBTL1ALDH1A1RAB9APOLB
SCHEMBL18285079 0.85 JAK3 (0.38) JAK3POLBEGFR
SCHEMBL18285080 0.85 JAK3 (0.38) JAK3POLBEGFR
SCHEMBL19909679 0.84 JAK3 (0.37) JAK3EGFR
SCHEMBL17244275 0.84 HDAC1 (0.41) JAK3EGFR
SCHEMBL20334636 0.84 JAK3 (0.37) JAK3EGFR

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024081363-A1 COMPOSITION COMPRISING A FIRST RAS INHIBITOR, SECOND RAS INHIBITOR AND A SHP2 INHIBITOR FOR USE IN THE TREATMENT OF CANCER Revolution Medicines, Inc. (US) 2024-04-18 WO disclosed
EP-3426637-B1 COMPOUNDS AND METHODS FOR MODULATING BRUTON'S TYROSINE KINASE ANGEL PHARMACEUTICAL CO LTD (CN) 2022-02-09 EP disclosed
WO-2021121390-A1 HETEROCYCLIC COMPOUND, AND PHARMACEUTICAL COMPOSITION THEREOF, PREPARATION METHOD THEREFOR, INTERMEDIATE THEREOF AND APPLICATION THEREOF 苏州信诺维医药科技股份有限公司 2021-06-24 WO disclosed
WO-2021062327-A1 FUSED PYRIMIDINE COMPOUNDS, COMPOSITIONS AND MEDICINAL APPLICATIONS THEREOF JUBILANT BIOSYS LIMITED (IN) 2021-04-01 WO disclosed
US-10870652-B2 Compounds and methods for modulating bruton's tyrosine kinase CORVUS PHARMACEUTICALS, INC. (US) 2020-12-22 US disclosed
EP-3145512-B1 SUBSTITUTED ETHYNYL HETEROBICYCLIC COMPOUNDS AS TYROSINE KINASE INHIBITORS JIANGSU HENGRUI MEDICINE CO (CN) 2019-07-17 EP disclosed
EP-3120852-B1 PREVENTIVE AND/OR THERAPEUTIC AGENT FOR IMMUNE DISEASES TAIHO PHARMACEUTICAL CO LTD (JP) 2019-05-01 EP disclosed
US-20190106423-A1 COMPOUNDS AND METHODS FOR MODULATING BRUTON'S TYROSINE KINASE CORVUS BIOPHARMACEUTICALS, LTD. (KY) 2019-04-11 US disclosed
EP-3312180-A1 USE OF PTERIDINONE DERIVATIVE SERVING AS EGFR INHIBITOR East China University Of Science And Technology (CN) 2018-04-25 EP disclosed
WO-2017156495-A1 COMPOUNDS AND METHODS FOR MODULATING BRUTON'S TYROSINE KINASE CORVUS PHARMACEUTICALS, INC. (US) 2017-09-14 WO disclosed
EP-2970202-B1 PYRIDINYL AND FUSED PYRIDINYL TRIAZOLONE DERIVATIVES TAKEDA PHARMACEUTICALS CO (JP) 2017-02-01 EP 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-20190106423-A1 COMPOUNDS AND METHODS FOR MODULATING BRUTON'S TYROSINE KINASE ABL1, BTK, LYN JAK3 110/4885HPGD 4348/4885MAPT 4503/4885
US-10870652-B2 Compounds and methods for modulating bruton's tyrosine kinase ABL1, BTK, LYN JAK3 110/4885HPGD 4348/4885MAPT 4503/4885

“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.