SCHEMBL426588

SCHEMBL426588

N#Cc1cc(Br)ccc1N1CCOCC1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.55
SMN1; SMN2 Q16637 3/20 0.49
MAPT P10636 3/20 0.49
HTT P42858 2/20 0.49
KDM4E B2RXH2 2/20 0.49
TSHR P16473 2/20 0.49
NSD2 O96028 1/20 0.49
LMNA P02545 1/20 0.49
CASP1 P29466 1/20 0.49
CASP7 P55210 1/20 0.49
CASP6 P55212 1/20 0.49
PDE3B Q13370 1/20 0.48
PDE3A Q14432 1/20 0.48
ATM Q13315 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
CCR5 P51681 1/20 0.47
ALDH1A1 P00352 1/20 0.45
HPGD P15428 1/20 0.45
HSD17B10 Q99714 1/20 0.45
ROCK2 O75116 1/20 0.45

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
SCHEMBL31276622 1.00 MAPK1 (0.55) MAPK1SMN1; SMN2MAPTHTTKDM4E
SCHEMBL16094742 0.89 MAPK1 (0.54) MAPK1SMN1; SMN2MAPTHTTKDM4E
SCHEMBL4454407 0.84 AR (0.57) MAPK1MAPTHTTKDM4ELMNA
SCHEMBL1331262 0.83 AR (0.56) MAPK1MAPTHTTKDM4ELMNA
SCHEMBL16793210 0.83 AR (0.56) MAPK1MAPTHTTKDM4ELMNA
SCHEMBL431886 0.80 DRD4 (0.48) MAPK1SMN1; SMN2MAPTHTTKDM4E
SCHEMBL3578305 0.80 MAPK1 (0.55) MAPK1SMN1; SMN2MAPTHTTKDM4E
SCHEMBL2445959 0.80 MAPT (0.63) MAPK1SMN1; SMN2MAPTHTTKDM4E
SCHEMBL414489 0.80 MAPK1 (0.55) MAPK1SMN1; SMN2MAPTHTTKDM4E
SCHEMBL21561026 0.78 MAPK1 (0.57) MAPK1SMN1; SMN2MAPTHTTKDM4E

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
US-12479849-B2 EGFR inhibitors for the treatment of cancer HOFFMANN-LA ROCHE INC. (US) 2025-11-25 US disclosed
CN-113993872-B EGFR inhibitors for the treatment of cancer 豪夫迈·罗氏有限公司 2024-09-24 CN disclosed
EP-3986896-B1 EGFR INHIBITORS FOR THE TREATMENT OF CANCER HOFFMANN LA ROCHE (CH) 2023-03-15 EP disclosed
US-20230054473-A1 EGFR INHIBITORS FOR THE TREATMENT OF CANCER HOFFMANN-LA ROCHE INC. (US) 2023-02-23 US disclosed
EP-3986896-A1 EGFR INHIBITORS FOR THE TREATMENT OF CANCER F. Hoffmann-La Roche AG (CH) 2022-04-27 EP disclosed
CN-113993872-A EGFR inhibitors for the treatment of cancer 豪夫迈·罗氏有限公司 2022-01-28 CN disclosed
WO-2020254572-A1 EGFR INHIBITORS FOR THE TREATMENT OF CANCER F. HOFFMANN-LA ROCHE AG (CH) 2020-12-24 WO disclosed
US-20120022030-A1 Tetracyclic Lactame Derivatives NOVARTIS AG 2012-01-26 US disclosed
US-20120022030-A1 Tetracyclic Lactame Derivatives NOVARTIS AG 2012-01-26 US disclosed
US-20120022030-A1 Tetracyclic Lactame Derivatives NOVARTIS AG 2012-01-26 US disclosed
US-7838674-B2 2-(1-amino-cyclobutylmethyl)-8-(4-methoxy-phenyl)-4,5-dihydro-1 H-1,7,9-triazacyclopenta[a]naph-thalene-3-carboxylic acid lactame; useful especially as inhibitors of mitogen-activated protein kinase-activated protein kinase-2 (MK2 or MAPKAP kinase-2 NOVARTIS AG (CH) 2010-11-23 US disclosed
US-7838674-B2 2-(1-amino-cyclobutylmethyl)-8-(4-methoxy-phenyl)-4,5-dihydro-1 H-1,7,9-triazacyclopenta[a]naph-thalene-3-carboxylic acid lactame; useful especially as inhibitors of mitogen-activated protein kinase-activated protein kinase-2 (MK2 or MAPKAP kinase-2 NOVARTIS AG (CH) 2010-11-23 US disclosed
US-7838674-B2 2-(1-amino-cyclobutylmethyl)-8-(4-methoxy-phenyl)-4,5-dihydro-1 H-1,7,9-triazacyclopenta[a]naph-thalene-3-carboxylic acid lactame; useful especially as inhibitors of mitogen-activated protein kinase-activated protein kinase-2 (MK2 or MAPKAP kinase-2 NOVARTIS AG (CH) 2010-11-23 US disclosed
EP-2178874-A1 HETEROCYCLIC COMPOUNDS USEFUL AS MK2 INHIBITORS Novartis Ag (CH) 2010-04-28 EP disclosed
US-20090098218-A1 Tetracyclic Lactame Derivatives NOVARTIS AG 2009-04-16 US disclosed
US-20090098218-A1 Tetracyclic Lactame Derivatives NOVARTIS AG 2009-04-16 US disclosed
US-20090098218-A1 Tetracyclic Lactame Derivatives NOVARTIS AG 2009-04-16 US disclosed
WO-2009010488-A1 HETEROCYCLIC COMPOUNDS USEFUL AS MK2 INHIBITORS NOVARTIS AG (CH) 2009-01-22 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-20230054473-A1 EGFR INHIBITORS FOR THE TREATMENT OF CANCER EGFR, ERBB2, ERBB3 MAPK1 619/4885SMN1; SMN2 4844/4885MAPT 3507/4885
US-20120022030-A1 Tetracyclic Lactame Derivatives TNF, RPS6KB2, RPS6KA2 MAPK1 1216/4885SMN1; SMN2 3099/4885MAPT 3072/4885
US-20090098218-A1 Tetracyclic Lactame Derivatives TNF, RPS6KB2, RPS6KA2 MAPK1 1216/4885SMN1; SMN2 3099/4885MAPT 3072/4885
US-12479849-B2 EGFR inhibitors for the treatment of cancer EGFR, ERBB2, ERBB3 MAPK1 728/4885SMN1; SMN2 4809/4885MAPT 3119/4885

“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.