SCHEMBL6346103

SCHEMBL6346103

NCc1c(NC2CCCCC2)cccc1-c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.50
MAPT P10636 2/20 0.50
KDM4E B2RXH2 1/20 0.50
ALDH1A1 P00352 4/20 0.43
MEN1 O00255 4/20 0.43
KMT2A Q03164 4/20 0.43
NPSR1 Q6W5P4 2/20 0.43
LMNA P02545 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
TDP1 Q9NUW8 1/20 0.41
AOC1 P19801 3/20 0.41
AOC3 Q16853 3/20 0.41
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
NSD2 O96028 1/20 0.39
HTT P42858 1/20 0.39
IDO1 P14902 1/20 0.39
NPC1 O15118 2/20 0.39

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
SCHEMBL28344648 0.81 MAPT (0.58) GAAMAPTKDM4EALDH1A1MEN1
SCHEMBL6343755 0.74 NRP1 (0.49) GAAMAPTKDM4EALDH1A1MEN1
SCHEMBL6344376 0.73 DPP4 (0.42) MAPTALDH1A1NPSR1SMN1; SMN2TDP1
SCHEMBL29127243 0.72 ALDH1A1 (0.49) GAAMAPTKDM4EALDH1A1MEN1
SCHEMBL6346667 0.72 TDP1 (0.46) GAAMAPTKDM4EALDH1A1MEN1
SCHEMBL11523761 0.72 KDM4E (0.73) GAAMAPTKDM4EALDH1A1MEN1
SCHEMBL29449726 0.72 KDM4E (0.73) GAAMAPTKDM4EALDH1A1MEN1
SCHEMBL4495740 0.72 KDM4E (0.73) GAAMAPTKDM4EALDH1A1MEN1
SCHEMBL20336230 0.72 KDM4E (0.73) GAAMAPTKDM4EALDH1A1MEN1
SCHEMBL27670029 0.72 DPP4 (0.60) ALDH1A1CYP3A4CYP2C9CYP2C19RAB9A

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 GAA 4427/4885MAPT 2378/4885KDM4E 3076/4885

“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.