SCHEMBL6869758

SCHEMBL6869758

Cc1cc2c(Br)cccc2s1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.50
SLC9A1 P19634 3/20 0.45
MAPT P10636 2/20 0.38
PLAU P00749 1/20 0.36
GPR3 P46089 1/20 0.36
CA2 P00918 2/20 0.33
HDAC3 O15379 2/20 0.33
HDAC4 P56524 2/20 0.33
HDAC1 Q13547 2/20 0.33
HDAC7 Q8WUI4 2/20 0.33
HDAC2 Q92769 2/20 0.33
HDAC10 Q969S8 2/20 0.33
HDAC11 Q96DB2 2/20 0.33
HDAC8 Q9BY41 2/20 0.33
HDAC6 Q9UBN7 2/20 0.33
HDAC9 Q9UKV0 2/20 0.33
HDAC5 Q9UQL6 2/20 0.33
IDO1 P14902 1/20 0.33
AHR P35869 1/20 0.32
MAPK1 P28482 1/20 0.32

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
SCHEMBL806604 0.78 PLAU (0.55) ALDH1A1SLC9A1MAPTPLAUGPR3
SCHEMBL28205208 0.78 SLC9A1 (0.47) ALDH1A1SLC9A1MAPTGPR3CA2
SCHEMBL146453 0.77 ALDH1A1 (0.52) ALDH1A1SLC9A1MAPTPLAUGPR3
SCHEMBL31304802 0.77 SLC9A1 (0.46) ALDH1A1SLC9A1MAPTPLAUGPR3
SCHEMBL29208180 0.77 SLC9A1 (0.46) ALDH1A1SLC9A1MAPTPLAUGPR3
SCHEMBL21444811 0.75 ALDH1A1 (0.50) ALDH1A1SLC9A1MAPTPLAUGPR3
SCHEMBL12330261 0.75 PLAU (0.51) ALDH1A1SLC9A1MAPTPLAUGPR3
SCHEMBL17866234 0.75 CA2 (0.53) ALDH1A1SLC9A1MAPTPLAUGPR3
SCHEMBL147141 0.75 ALDH1A1 (0.50) ALDH1A1SLC9A1MAPTPLAUGPR3
SCHEMBL5646614 0.75 SLC9A1 (0.45) ALDH1A1SLC9A1MAPTGPR3CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240083857-A1 2-Methyl-Quinazolines Bayer Pharma AG (DE) 2024-03-14 US disclosed
US-20220235013-A1 2-METHYL-QUINAZOLINES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2022-07-28 US disclosed
EP-3601267-A1 2-METHYL-QUINAZOLINES Bayer Pharma Aktiengesellschaft (DE) 2020-02-05 EP disclosed
WO-2018172250-A1 2-METHYL-QUINAZOLINES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2018-09-27 WO disclosed
EP-2970173-B1 INHIBITORS OF THE KYNURENINE PATHWAY CURADEV PHARMA PRIVATE LTD (IN) 2018-05-09 EP disclosed
EP-1069106-B1 Dimethyl-(3-aryl-but-3-enyl) amine derivatives with analgesic activity GRUENENTHAL GMBH (DE) 2004-01-28 EP disclosed
EP-0799819-B1 1-Dimethylaminomethyl 2-phenyl cycloalk-2-ene derivatives with analgesic activity GRUENENTHAL GMBH (DE) 2002-09-11 EP disclosed
EP-1069106-A2 Dimethyl-(3-aryl-but-3-enyl) amine derivatives with analgesic activity Grünenthal GmbH (DE) 2001-01-17 EP disclosed
EP-0983994-A2 Pharmaceutically-active dimethyl-(3-aryl-but-3-enyl)-amine compounds Grünenthal GmbH (DE) 2000-03-08 EP disclosed
EP-0799819-A1 Dimethyl-(3-aryl-but-3-enyl) amine derivatives with analgesic activity Grünenthal GmbH (DE) 1997-10-08 EP 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-20240083857-A1 2-Methyl-Quinazolines NRAS, KRAS, KSR2 ALDH1A1 4417/4885SLC9A1 2064/4885MAPT 4627/4885
US-20220235013-A1 2-METHYL-QUINAZOLINES NRAS, KRAS, KSR2 ALDH1A1 4417/4885SLC9A1 2064/4885MAPT 4627/4885

“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.