SCHEMBL7007591

SCHEMBL7007591

Clc1ccnc2ccnc(Cl)c12

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 1/20 0.35
AURKA O14965 1/20 0.34
AURKB Q96GD4 1/20 0.34
PARP1 P09874 1/20 0.33
AXL P30530 1/20 0.33
PRKCI P41743 1/20 0.33
MAPT P10636 2/20 0.32
MAPK1 P28482 2/20 0.32
ALDH1A1 P00352 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2C9 P11712 1/20 0.32
HPGD P15428 1/20 0.32
ALOX15 P16050 1/20 0.32
CYP2C19 P33261 1/20 0.32
HSD17B10 Q99714 1/20 0.32
KDM4E B2RXH2 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
NR4A2 P43354 2/20 0.31

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
SCHEMBL29404834 0.76 PARP1 (0.50) LRRK2AURKAAURKBPARP1MAPT
SCHEMBL6465602 0.76 PARP1 (0.50) LRRK2AURKAAURKBPARP1MAPT
SCHEMBL6004107 0.74 NR4A2 (0.34) LRRK2AURKAAURKBPARP1AXL
SCHEMBL5598696 0.73 CHRM4 (0.36) LRRK2AURKAAURKBALDH1A1KDM4E
SCHEMBL30629503 0.71 HCAR1 (0.33) LRRK2AURKAAURKBPARP1AXL
SCHEMBL9984695 0.70 PARP1 (0.44) AURKAAURKBPARP1MAPTMAPK1
SCHEMBL8603889 0.70 PARP1 (0.44) AURKAAURKBPARP1MAPTMAPK1
SCHEMBL2221871 0.70 PDPK1 (0.52) LRRK2AURKAAURKBPARP1MAPT
SCHEMBL31609474 0.69
SCHEMBL170627 0.69

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1075478-B1 PHENYLUREA AND PHENYLTHIO UREA DERIVATIVES SMITHKLINE BEECHAM PLC (GB) 2003-04-16 EP claimed
EP-3691642-B1 [1,6]NAPHTHYRIDINE COMPOUNDS AND DERIVATIVES AS CDK8/CDK19 INHIBITORS BOEHRINGER INGELHEIM INT (DE) 2024-03-06 EP disclosed
CN-111163775-B Novel [1,6] naphthyridine compounds and derivatives as CDK8/CDK19 inhibitors 勃林格殷格翰国际有限公司 2023-07-11 CN disclosed
US-11261184-B2 [1,6]naphthyridine compounds and derivatives as CDK8/CDK19 inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2022-03-01 US disclosed
US-20200291020-A1 NEW [1,6]NAPHTHYRIDINE COMPOUNDS AND DERIVATIVES AS CDK8/CDK19 INHIBITORS BOEHRINGER INGELHEIM RCV GMBH & CO. KG (AT) 2020-09-17 US disclosed
WO-2019068613-A1 NEW [1,6]NAPHTHYRIDINE COMPOUNDS AND DERIVATIVES AS CDK8/CDK19 INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2019-04-11 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-20200291020-A1 NEW [1,6]NAPHTHYRIDINE COMPOUNDS AND DERIVATIVES AS CDK8/CDK19 INHIBITORS CDK9, CDK19, CDK8 LRRK2 1545/4885AURKA 59/4885AURKB 61/4885
US-11261184-B2 [1,6]naphthyridine compounds and derivatives as CDK8/CDK19 inhibitors CDK9, CDK19, CDK8 LRRK2 1619/4885AURKA 55/4885AURKB 61/4885

“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.