SCHEMBL15822845

SCHEMBL15822845

O=C(O)c1ccc2c(ccn2Cl)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAPGEF4 Q8WZA2 1/20 0.48
RXRA P19793 1/20 0.44
ROCK2 O75116 1/20 0.43
PIM1 P11309 1/20 0.43
PIM3 Q86V86 1/20 0.43
TSHR P16473 2/20 0.42
KDM4E B2RXH2 3/20 0.41
HCAR3 P49019 1/20 0.40
PLA2G4A P47712 1/20 0.40
PTPN1 P18031 2/20 0.40
PLG P00747 1/20 0.40
PLAU P00749 1/20 0.40
CA12 O43570 2/20 0.39
CA1 P00915 2/20 0.39
CA2 P00918 2/20 0.39
CA4 P22748 2/20 0.39
CA6 P23280 2/20 0.39
CA7 P43166 2/20 0.39
CA9 Q16790 2/20 0.39
CA14 Q9ULX7 2/20 0.39

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
SCHEMBL5629734 0.89 MCL1 (0.44) RAPGEF4TSHRKDM4EPTPN1CA12
SCHEMBL28114800 0.80 KDM4E (0.48) KDM4ECA12CA1CA2CA7
SCHEMBL31335989 0.79 RAPGEF4 (0.49) RAPGEF4RXRAROCK2PIM1PIM3
SCHEMBL28025028 0.78 RAPGEF4 (0.48) RAPGEF4RXRATSHRKDM4EHCAR3
SCHEMBL29746616 0.78 RAPGEF4 (0.48) RAPGEF4RXRATSHRKDM4EHCAR3
SCHEMBL103922 0.78 TUBB4A (0.56) RAPGEF4RXRAKDM4EHCAR3
SCHEMBL30233739 0.78 TUBB4A (0.56) RAPGEF4RXRAKDM4EHCAR3
SCHEMBL5960506 0.78 RAPGEF4 (0.48) RAPGEF4RXRAROCK2PIM1PIM3
SCHEMBL5068315 0.75 TUBB4A (0.57) RAPGEF4KDM4EPLA2G4APLGPLAU
Hydrazine SCHEMBL1997343 0.75 TUBB4A (0.54) RAPGEF4RXRAKDM4EHCAR3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104854087-B Indole carboxamide derivatives as P2X receptor antagonists 埃科特莱茵药品有限公司 2017-03-22 CN claimed
CN-104854087-A As P2X7Indole carboxamide derivatives of receptor antagonists ACTELION PHARMACEUTICALS LTD 2015-08-19 CN claimed
CN-104812749-A Iindole carboxamide derivatives as p2x7 receptor antagonists ACTELION PHARMACEUTICALS LTD 2015-07-29 CN claimed
CN-105051037-B Sphingosine-1-phosphate receptor agonists, method for the preparation thereof and pharmaceutical compositions comprising the same as active agent LG化学株式会社 2018-05-18 CN disclosed
CN-107072985-A Therapeutic inhibiting compound 莱福斯希医药公司 2017-08-18 CN disclosed
US-9718774-B2 Indole carboxamide derivatives as P2X7 receptor antagonist IDORSIA PHARMACEUTICALS LTD (CH) 2017-08-01 US disclosed
CN-104854087-B Indole carboxamide derivatives as P2X receptor antagonists 埃科特莱茵药品有限公司 2017-03-22 CN disclosed
US-9556117-B2 Indole carboxamide derivatives as P2X7 receptor antagonists ACTELION PHARMACEUTICALS LTD. (CH) 2017-01-31 US disclosed
CN-104812749-B Indolecarboxamide derivant as P2X7 receptor antagonist 埃科特莱茵药品有限公司 2016-12-14 CN disclosed
US-20150344425-A1 INDOLE CARBOXAMIDE DERIVATIVES AS P2X7 RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2015-12-03 US disclosed
US-20150322008-A1 INDOLE CARBOXAMIDE DERIVATIVES AS P2X7 RECEPTOR ANTAGONIST ACTELION PHARMACEUTICALS LTD (CH) 2015-11-12 US disclosed
CN-105051037-A Sphingosine-1-phosphate receptor agonists, method for the preparation thereof and pharmaceutical compositions comprising the same as active agent LG LIFE SCIENCES LTD 2015-11-11 CN disclosed
EP-2935211-A1 INDOLE CARBOXAMIDE DERIVATIVES AS P2X7 RECEPTOR ANTAGONISTS Actelion Pharmaceuticals Ltd. (CH) 2015-10-28 EP disclosed
CN-104854087-A As P2X7Indole carboxamide derivatives of receptor antagonists ACTELION PHARMACEUTICALS LTD 2015-08-19 CN disclosed
CN-104812749-A Iindole carboxamide derivatives as p2x7 receptor antagonists ACTELION PHARMACEUTICALS LTD 2015-07-29 CN disclosed
CN-104774205-A N1/N2-lactam acetyl-coa carboxylase inhibitors PFIZER 2015-07-15 CN disclosed
CN-103189377-B N1/n2-lactam acetyl-coa carboxylase inhibitors PFIZER 2015-02-25 CN disclosed
WO-2014097140-A1 INDOLE CARBOXAMIDE DERIVATIVES AS P2X7 RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2014-06-26 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 (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-20150344425-A1 INDOLE CARBOXAMIDE DERIVATIVES AS P2X7 RECEPTOR ANTAGONISTS P2RX7, P2RX3, P2RX1 RAPGEF4 1859/4885RXRA 737/4885ROCK2 2292/4885
US-20150322008-A1 INDOLE CARBOXAMIDE DERIVATIVES AS P2X7 RECEPTOR ANTAGONIST P2RX3, P2RX7, P2RX1 RAPGEF4 1971/4885RXRA 852/4885ROCK2 2531/4885

“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.