SCHEMBL245970

SCHEMBL245970

[O-][n+]1ccc2c(Cl)nccc2c1

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.37
CYP3A4 P08684 1/20 0.37
MAPT P10636 1/20 0.37
APEX1 P27695 1/20 0.37
MAPK1 P28482 1/20 0.37
PMP22 Q01453 1/20 0.37
PARG Q86W56 1/20 0.35
HIPK2 Q9H2X6 1/20 0.32
GRM4 Q14833 1/20 0.30
MAPK14 Q16539 1/20 0.30

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
SCHEMBL19692412 0.85 LMNA (0.41) LMNACYP3A4MAPTAPEX1MAPK1
SCHEMBL22589110 0.78 PDE3B (0.33)
Hydrochloric Acid SCHEMBL7425962 0.76 DYRK1A (0.42) CYP3A4
SCHEMBL246588 0.70 AXL (0.35) CYP3A4MAPTMAPK1MAPK14
SCHEMBL19706810 0.68 CYP2A6 (0.52)
SCHEMBL144590 0.67 MAPT (0.70) LMNACYP3A4MAPTAPEX1MAPK1
SCHEMBL29536823 0.67 MAPT (0.70) LMNACYP3A4MAPTAPEX1MAPK1
SCHEMBL2340238 0.67 TNF (0.35)
SCHEMBL19708686 0.67 LMNA (0.41) LMNACYP3A4MAPTAPEX1MAPK1
Hydrochloric Acid SCHEMBL11811816 0.66 MAPT (0.68) LMNACYP3A4MAPTAPEX1MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2585461-B1 2,4-DIARYL-SUBSTITUTED [1,8]NAPHTHYRIDINES AS KINASE INHIBITORS FOR USE AGAINST CANCER MERCK PATENT GMBH (DE) 2020-02-26 EP disclosed
CN-105712991-B 7 7-azaindole derivatives 默克专利股份公司 2017-12-01 CN disclosed
CN-105732617-B 7 7-azaindole derivatives 默克专利股份公司 2017-12-01 CN disclosed
US-9725446-B2 7-azaindole derivatives MERCK PATENT GMBH (DE) 2017-08-08 US disclosed
US-9725446-B2 7-azaindole derivatives MERCK PATENT GMBH (DE) 2017-08-08 US disclosed
CN-105732617-A 7-azaindole derivatives 默克专利股份公司 2016-07-06 CN disclosed
CN-105712991-A 7-AZAINDOLE DERIVATIVES 默克专利股份公司 2016-06-29 CN disclosed
US-20160130269-A1 7-AZAINDOLE DERIVATIVES MERCK PATENT GMBH (DE) 2016-05-12 US disclosed
US-20160130269-A1 7-AZAINDOLE DERIVATIVES MERCK PATENT GMBH (DE) 2016-05-12 US disclosed
CN-103391938-B Pyrido [2,3-B] pyrazines derivatives and therepic use thereof MERCK PATENT GMBH (DE) 2016-02-24 CN disclosed
CN-103502247-A 7-azaindole derivatives MERCK PATENT GMBH 2014-01-08 CN disclosed
US-20130345227-A1 PYRIDO [2, 3 - B] PYRAZINE DERIVATIVES AND THEIR THERAPEUTICAL USES MERCK PATENT GMBH (DE) 2013-12-26 US disclosed
US-20130310391-A1 7-AZAINDOLE DERIVATIVES MERCK PATENT GMBH (DE) 2013-11-21 US disclosed
US-20130310391-A1 7-AZAINDOLE DERIVATIVES MERCK PATENT GMBH (DE) 2013-11-21 US disclosed
CN-103391938-A Pyrido [2, 3 - b] pyrazine derivatives and their therapeutical uses MERCK PATENT GMBH 2013-11-13 CN disclosed
EP-2585461-A1 2,4- DIARYL - SUBSTITUTED [1,8]NAPHTHYRIDINES AS KINASE INHIBITORS FOR USE AGAINST CANCER Merck Patent GmbH (DE) 2013-05-01 EP disclosed
US-20130102603-A1 2,4-DIARYL - SUBSTITUTED [1,8] NAPHTHYRIDINES AS KINASE INHIBITORS FOR USE AGAINST CANCER MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2013-04-25 US disclosed
US-20130102603-A1 2,4-DIARYL - SUBSTITUTED [1,8] NAPHTHYRIDINES AS KINASE INHIBITORS FOR USE AGAINST CANCER MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2013-04-25 US disclosed
WO-2012119690-A1 PYRIDO [2, 3 - B] PYRAZINE DERIVATIVES AND THEIR THERAPEUTICAL USES MERCK PATENT GMBH (DE) 2012-09-13 WO disclosed
WO-2012000595-A1 2,4- DIARYL - SUBSTITUTED [1,8] NAPHTHYRIDINES AS KINASE INHIBITORS FOR USE AGAINST CANCER MERCK PATENT GMBH (DE) 2012-01-05 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-20130310391-A1 7-AZAINDOLE DERIVATIVES PDK1, PDK2, PDK3 LMNA 3373/4885CYP3A4 2739/4885MAPT 4669/4885
US-20130345227-A1 PYRIDO [2, 3 - B] PYRAZINE DERIVATIVES AND THEIR THERAPEUTICAL USES TGFBR1, TGFBR2, PDXK LMNA 2853/4885CYP3A4 3409/4885MAPT 3626/4885
US-20130102603-A1 2,4-DIARYL - SUBSTITUTED [1,8] NAPHTHYRIDINES AS KINASE INHIBITORS FOR USE AGAINST CANCER TGFBR1, TAB1, TGFBR2 LMNA 1580/4885CYP3A4 3712/4885MAPT 4149/4885
US-20160130269-A1 7-AZAINDOLE DERIVATIVES PDK1, PDK2, PDK3 LMNA 3271/4885CYP3A4 2773/4885MAPT 4701/4885

“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.