SCHEMBL6326428

SCHEMBL6326428

O=c1c[c][nH]c2ncccc12

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 1/20 0.46
ADORA1 P30542 1/20 0.46
PARP1 P09874 3/20 0.46
AURKA O14965 1/20 0.46
FEN1 P39748 1/20 0.45
KMT2A Q03164 1/20 0.40
AXL P30530 1/20 0.39
CDK4 P11802 1/20 0.39
CCND1 P24385 1/20 0.39
GPR84 Q9NQS5 1/20 0.38
LOXL3 P58215 1/20 0.36
LOXL2 Q9Y4K0 1/20 0.36
LRRK2 Q5S007 1/20 0.36
DAO P14920 1/20 0.36

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
SCHEMBL9384243 0.72 PARP1 (0.44) ADORA2AADORA1PARP1AURKAFEN1
SCHEMBL5216 0.71
SCHEMBL30421286 0.71 AXL (0.53) ADORA2AADORA1PARP1AURKAFEN1
SCHEMBL1566406 0.71 AXL (0.53) ADORA2AADORA1PARP1AURKAFEN1
Hydrochloric Acid SCHEMBL29744480 0.69 AXL (0.52) ADORA2AADORA1PARP1AURKAFEN1
SCHEMBL3768493 0.69 ADORA2A (0.46) ADORA2AADORA1PARP1AURKAFEN1
SCHEMBL30266660 0.68 ADORA2A (0.45) ADORA2AADORA1PARP1AURKAFEN1
SCHEMBL223036 0.67 GAA (0.44) PARP1FEN1KMT2ACDK4CCND1
SCHEMBL4343732 0.67 ADORA2A (0.59) ADORA2AADORA1PARP1AURKAFEN1
SCHEMBL9694560 0.67 ADORA1 (0.59) ADORA2AADORA1PARP1AURKAFEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3856747-B1 SUBSTITUTED PYRIDOINDOLES FOR THE TREATMENT AND PROPHYLAXIS OF BACTERIAL INFECTION HOFFMANN LA ROCHE (CH) 2023-07-19 EP claimed
EP-3856747-A1 SUBSTITUTED PYRIDOINDOLES FOR THE TREATMENT AND PROPHYLAXIS OF BACTERIAL INFECTION F. Hoffmann-La Roche AG (CH) 2021-08-04 EP claimed
US-20210221832-A1 SUBSTITUTED PYRIDOINDOLES FOR THE TREATMENT AND PROPHYLAXIS OF BACTERIAL INFECTION HOFFMANN-LA ROCHE INC. (US) 2021-07-22 US claimed
CN-112752762-A Substituted pyridoindoles for the treatment and prevention of bacterial infections 豪夫迈·罗氏有限公司 2021-05-04 CN claimed
WO-2020064661-A1 SUBSTITUTED PYRIDOINDOLES FOR THE TREATMENT AND PROPHYLAXIS OF BACTERIAL INFECTION F. HOFFMANN-LA ROCHE AG (CH) 2020-04-02 WO claimed
US-9126979-B2 Compounds for inhibiting the interaction of BCL2 with binding partners NOVARTIS AG (CH) 2015-09-08 US claimed
US-9126980-B2 Compounds for inhibiting the interaction of BCL2 with binding partners NOVARTIS AG (CH) 2015-09-08 US claimed
US-20150080428-A1 COMPOUNDS FOR INHIBITING THE INTERACTION OF BCL2 WITH BINDING PARTNERS NOVARTIS AG (CH) 2015-03-19 US claimed
US-20140357666-A1 COMPOUNDS FOR INHIBITING THE INTERACTION OF BCL2 WITH BINDING PARTNERS NOVARTIS AG (CH) 2014-12-04 US claimed
US-20140357633-A1 COMPOUNDS FOR INHIBITING THE INTERACTION OF BCL2 WITH BINDING PARTNERS NOVARTIS INSTITUTES FOR BIOMEDICAL RESEARCH INC. 2014-12-04 US claimed
EP-2794591-A1 COMPOUNDS FOR INHIBITING THE INTERACTION OF BCL2 WITH BINDING PARTNERS Novartis AG (CH) 2014-10-29 EP claimed
EP-2794590-A1 COMPOUNDS FOR INHIBITING THE INTERACTION OF BCL2 WITH BINDING PARTNERS Novartis AG (CH) 2014-10-29 EP claimed
EP-2794592-A1 COMPOUNDS FOR INHIBITING THE INTERACTION OF BCL2 WITH BINDING PARTNERS Novartis AG (CH) 2014-10-29 EP claimed
EP-2794588-A1 COMPOUNDS FOR INHIBITING THE INTERACTION OF BCL2 WITH BINDING PARTNERS Novartis AG (CH) 2014-10-29 EP claimed
WO-2013096049-A1 COMPOUNDS FOR INHIBITING THE INTERACTION OF BCL2 WITH BINDING PARTNERS NOVARTIS AG (CH) 2013-06-27 WO claimed
WO-2013096051-A1 COMPOUNDS FOR INHIBITING THE INTERACTION OF BCL2 WITH BINDING PARTNERS NOVARTIS AG (CH) 2013-06-27 WO claimed
WO-2013096060-A1 COMPOUNDS FOR INHIBITING THE INTERACTION OF BCL2 WITH BINDING PARTNERS NOVARTIS AG (CH) 2013-06-27 WO claimed
WO-2013096059-A1 COMPOUNDS FOR INHIBITING THE INTERACTION OF BCL2 WITH BINDING PARTNERS NOVARTIS AG (CH) 2013-06-27 WO claimed
WO-2013096055-A1 COMPOUNDS FOR INHIBITING THE INTERACTION OF BCL2 WITH BINDING PARTNERS NOVARTIS AG (CH) 2013-06-27 WO claimed
US-20030109705-A1 Novel cyanoenamines useful as ligands for modulating gene expression in plants or animals SYNGENTA PARTICIPATIONS AG (CH) 2003-06-12 US claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (5 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-20140357633-A1 COMPOUNDS FOR INHIBITING THE INTERACTION OF BCL2 WITH BINDING PARTNERS BCL2, BCL2A1, BCL2L1 ADORA2A 3227/4885ADORA1 3887/4885PARP1 384/4885
US-20140357666-A1 COMPOUNDS FOR INHIBITING THE INTERACTION OF BCL2 WITH BINDING PARTNERS BCL2, BCL2A1, BCL2L1 ADORA2A 3227/4885ADORA1 3887/4885PARP1 384/4885
US-20150080428-A1 COMPOUNDS FOR INHIBITING THE INTERACTION OF BCL2 WITH BINDING PARTNERS BCL2, BCL2A1, BCL2L1 ADORA2A 3214/4885ADORA1 4013/4885PARP1 490/4885
US-20030109705-A1 Novel cyanoenamines useful as ligands for modulating gene expression in plants or animals ACSL1, ACVRL1, DCLK3 ADORA2A 2028/4885ADORA1 948/4885PARP1 3747/4885
US-20210221832-A1 SUBSTITUTED PYRIDOINDOLES FOR THE TREATMENT AND PROPHYLAXIS OF BACTERIAL INFECTION BLVRB, PNPO, IL17A ADORA2A 1269/4885ADORA1 130/4885PARP1 1951/4885

“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.