SCHEMBL6353571

SCHEMBL6353571

N#Cc1c(Nc2c(F)cccc2F)cccc1-c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 7/20 0.45
ADORA2A P29274 5/20 0.45
ADORA2B P29275 3/20 0.45
HTT P42858 1/20 0.39
KDM4E B2RXH2 3/20 0.37
ALDH1A1 P00352 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
LMNA P02545 1/20 0.37
RAB9A P51151 1/20 0.37
PTGS2 P35354 1/20 0.36
LRRK2 Q5S007 1/20 0.36
MEN1 O00255 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
KMT2A Q03164 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
HPGD P15428 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
RXFP1 Q9HBX9 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
SCHEMBL6055529 0.82 KDM4E (0.49) ADORA1ADORA2AADORA2BKDM4EALDH1A1
SCHEMBL6342286 0.81 ADORA2A (0.49) ADORA1ADORA2AADORA2BHTTKDM4E
SCHEMBL421370 0.80 ADORA1 (0.51) ADORA1ADORA2AADORA2BKDM4EALDH1A1
SCHEMBL19018356 0.76 ADORA1 (0.47) ADORA1ADORA2AADORA2BKDM4EALDH1A1
SCHEMBL6055520 0.75 L3MBTL1 (0.43) KDM4EALDH1A1SMN1; SMN2PTGS2MEN1
SCHEMBL12679716 0.74 ALDH1A1 (0.52) ADORA1ADORA2AKDM4EALDH1A1SMN1; SMN2
SCHEMBL9537241 0.72 ADORA1 (0.38) ADORA1ADORA2AADORA2BHTTALDH1A1
SCHEMBL6055534 0.72 HTT (0.49) ADORA1ADORA2AADORA2BHTTKDM4E
SCHEMBL6343690 0.72 CD274 (0.42) ADORA1ADORA2AHTTKDM4EALDH1A1
SCHEMBL6344957 0.72 HPGD (0.58) HTTKDM4EALDH1A1SMN1; SMN2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050075352-A1 3,4-Dihydro-(1H)-quinazolin-2-ones and their use as CSBP/p38 kinase inhibitors SMITHKLINE BEECHAM CORPORATION 2005-04-07 US disclosed
US-6759410-B1 CYTOKINE SUPPRESSIVE ANTIINFLAMMATORIES SMITHLINE BEECHAM CORPORATION 2004-07-06 US disclosed
EP-1248624-A4 3,4-DIHYDRO-(1H)-QUINAZOLIN-2-ONES AND THEIR USE AS CSBP/p38 KINASE INHIBITORS SMITHKLINE BEECHAM CORP (US) 2003-01-22 EP disclosed
EP-1248624-A1 3,4-DIHYDRO-(1H)-QUINAZOLIN-2-ONES AND THEIR USE AS CSBP/p38 KINASE INHIBITORS SmithKline Beecham Corporation (US) 2002-10-16 EP disclosed
WO-2001037837-A1 3,4-DIHYDRO-(1H)-QUINAZOLIN-2-ONES AND THEIR USE AS CSBP/p38 KINASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2001-05-31 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 (1 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-20050075352-A1 3,4-Dihydro-(1H)-quinazolin-2-ones and their use as CSBP/p38 kinase inhibitors MAPKAPK2, MAPKAPK3, CREBBP ADORA1 4400/4885ADORA2A 3441/4885ADORA2B 3961/4885

“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.