SCHEMBL10323402

SCHEMBL10323402

Nc1ccccc1C1CCCO1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CFTR P13569 1/20 0.38
ADORA2A P29274 1/20 0.36
ADORA1 P30542 1/20 0.36
NLRP3 Q96P20 1/20 0.36
GAA P10253 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
KDM4E B2RXH2 2/20 0.34
MAPT P10636 1/20 0.34
PDE10A Q9Y233 3/20 0.33
CYP3A4 P08684 2/20 0.33
ALOX15 P16050 2/20 0.33
CYP1A2 P05177 2/20 0.33
CYP2C9 P11712 2/20 0.33
CYP2C19 P33261 2/20 0.33
CASP1 P29466 1/20 0.33
CASP7 P55210 1/20 0.33
MEN1 O00255 1/20 0.33
CYP2D6 P10635 1/20 0.33
PKM P14618 1/20 0.33
KMT2A Q03164 1/20 0.33

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
SCHEMBL10323447 1.00 CFTR (0.38) CFTRADORA2AADORA1NLRP3GAA
SCHEMBL10324942 1.00 CFTR (0.38) CFTRADORA2AADORA1NLRP3GAA
SCHEMBL28109304 0.94 GAA (0.37) CFTRADORA2AADORA1NLRP3GAA
SCHEMBL22041388 0.82 CFTR (0.38) CFTRADORA2AADORA1NLRP3GAA
SCHEMBL23579143 0.78 ADORA2A (0.35) CFTRADORA2AADORA1GAASMN1; SMN2
SCHEMBL10442292 0.77 TSHR (0.46) SMN1; SMN2CYP3A4ALOX15CASP1CASP7
SCHEMBL2557814 0.77 MEN1 (0.44) NLRP3GAASMN1; SMN2PDE10ACYP3A4
SCHEMBL29151150 0.77 GAA (0.40) NLRP3GAAPKM
SCHEMBL27405786 0.77 HTR2C (0.43) NLRP3GAASMN1; SMN2KDM4EMAPT
SCHEMBL27997001 0.77 PKM (0.36) ADORA2AADORA1NLRP3GAASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114315796-B Compounds used as HPK1 kinase inhibitor, preparation method and application thereof 中国药科大学 2024-03-26 CN disclosed
CN-114315796-A Compound used as HPK1 kinase inhibitor and preparation method and application thereof 中国药科大学 2022-04-12 CN disclosed
US-9937192-B2 Combination therapy to treat mycobacterium diseases SPERO TRINEM, INC. (US) 2018-04-10 US disclosed
US-9937192-B2 Combination therapy to treat mycobacterium diseases SPERO TRINEM, INC. (US) 2018-04-10 US disclosed
US-9937192-B2 Combination therapy to treat mycobacterium diseases SPERO TRINEM, INC. (US) 2018-04-10 US disclosed
US-20170128471-A1 COMBINATION THERAPY TO TREAT MYCOBACTERIUM DISEASES SPERO THERAPEUTICS, INC. 2017-05-11 US disclosed
US-20170128471-A1 COMBINATION THERAPY TO TREAT MYCOBACTERIUM DISEASES SPERO THERAPEUTICS, INC. 2017-05-11 US disclosed
US-20170128471-A1 COMBINATION THERAPY TO TREAT MYCOBACTERIUM DISEASES SPERO THERAPEUTICS, INC. 2017-05-11 US disclosed
US-9572809-B2 Combination therapy to treat Mycobacterium diseases SPERO TRINEM, INC. (US) 2017-02-21 US disclosed
US-9572809-B2 Combination therapy to treat Mycobacterium diseases SPERO TRINEM, INC. (US) 2017-02-21 US disclosed
US-20120184512-A1 GYRASE AND TOPOISOMERASE IV INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-07-19 US disclosed
US-20120184741-A1 SOLID FORMS OF GYRASE INHIBITOR (R)-1-ETHYL-3-[5-[2-(1-HYDROXY-METHYL-ETHYL)PYRIMIDIN-5-YL]-7-(TETRAHYDROFURAN-2-YL)-1H-BENZIMIDAZOL-2-YL]UREA VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-07-19 US disclosed
US-20120184512-A1 GYRASE AND TOPOISOMERASE IV INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-07-19 US disclosed
US-20120184512-A1 GYRASE AND TOPOISOMERASE IV INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-07-19 US disclosed
US-20120184742-A1 PROCESS OF MAKING GYRASE AND TOPOISOMERASE IV INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-07-19 US disclosed
US-20120184742-A1 PROCESS OF MAKING GYRASE AND TOPOISOMERASE IV INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-07-19 US disclosed
US-20120184741-A1 SOLID FORMS OF GYRASE INHIBITOR (R)-1-ETHYL-3-[5-[2-(1-HYDROXY-METHYL-ETHYL)PYRIMIDIN-5-YL]-7-(TETRAHYDROFURAN-2-YL)-1H-BENZIMIDAZOL-2-YL]UREA VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-07-19 US disclosed
US-20120184741-A1 SOLID FORMS OF GYRASE INHIBITOR (R)-1-ETHYL-3-[5-[2-(1-HYDROXY-METHYL-ETHYL)PYRIMIDIN-5-YL]-7-(TETRAHYDROFURAN-2-YL)-1H-BENZIMIDAZOL-2-YL]UREA VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-07-19 US disclosed
US-20120184742-A1 PROCESS OF MAKING GYRASE AND TOPOISOMERASE IV INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-07-19 US disclosed
WO-2012097269-A1 PYRIMIDINE GYRASE AND TOPOISOMERASE IV INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-07-19 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 (4 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-20170128471-A1 COMBINATION THERAPY TO TREAT MYCOBACTERIUM DISEASES TOP1, TOP2A, TOP2B CFTR 179/4885ADORA2A 4566/4885ADORA1 4073/4885
US-20120184742-A1 PROCESS OF MAKING GYRASE AND TOPOISOMERASE IV INHIBITORS TOP1, TOP2A, TOP2B CFTR 798/4885ADORA2A 4684/4885ADORA1 3877/4885
US-20120184512-A1 GYRASE AND TOPOISOMERASE IV INHIBITORS TOP1, TOP2A, TOP2B CFTR 424/4885ADORA2A 4715/4885ADORA1 4197/4885
US-20120184741-A1 SOLID FORMS OF GYRASE INHIBITOR (R)-1-ETHYL-3-[5-[2-(1-HYDROXY-METHYL-ETHYL)PYRIMIDIN-5-YL]-7-(TETRAHYDROFURAN-2-YL)-1H-BENZIMIDAZOL-2-YL]UREA TOP1, TOP2A, TOP2B CFTR 755/4885ADORA2A 4496/4885ADORA1 4024/4885

“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.