SCHEMBL6344769

SCHEMBL6344769

NCc1c(NCc2ccccc2)cccc1-c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.46
KDM4E B2RXH2 3/20 0.46
ALDH1A1 P00352 3/20 0.46
HPGD P15428 2/20 0.46
BACE1 P56817 1/20 0.44
TSHR P16473 2/20 0.42
ADRA2C P18825 2/20 0.42
DPP4 P27487 1/20 0.42
LOXL2 Q9Y4K0 1/20 0.41
TAAR1 Q96RJ0 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
CHRNB2 P17787 1/20 0.40
CHRNB4 P30926 1/20 0.40
CHRNA3 P32297 1/20 0.40
CHRNA4 P43681 1/20 0.40
NPSR1 Q6W5P4 1/20 0.39
ADRA2A P08913 1/20 0.38

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
SCHEMBL6350964 0.84 L3MBTL1 (0.42) KDM4EALDH1A1HPGDTSHRDPP4
SCHEMBL28467589 0.81 ALDH1A1 (0.63) HSD17B10KDM4EALDH1A1HPGDBACE1
SCHEMBL6346667 0.77 TDP1 (0.46) HSD17B10KDM4EALDH1A1HPGDTSHR
SCHEMBL27670029 0.76 DPP4 (0.60) HSD17B10ALDH1A1HPGDDPP4LOXL2
Hydrogen Sulfide SCHEMBL27639876 0.74 DPP4 (0.58) HSD17B10ALDH1A1HPGDDPP4LOXL2
SCHEMBL6344376 0.74 DPP4 (0.42) ALDH1A1ADRA2CDPP4TAAR1CYP2D6
SCHEMBL6344957 0.74 HPGD (0.58) HSD17B10KDM4EALDH1A1HPGDBACE1
SCHEMBL21507732 0.74 ALDH1A1 (0.55) HSD17B10KDM4EALDH1A1HPGDTSHR
SCHEMBL6344385 0.73 DPP4 (0.43) KDM4EALDH1A1HPGDDPP4MEN1
SCHEMBL4571036 0.72 HSD17B10 (0.71) HSD17B10KDM4EALDH1A1HPGDBACE1

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 HSD17B10 4128/4885KDM4E 3076/4885ALDH1A1 4001/4885

“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.