SCHEMBL6344957

SCHEMBL6344957

N#Cc1c(NCc2ccccc2)cccc1-c1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 4/20 0.58
TSHR P16473 4/20 0.58
HSD17B10 Q99714 4/20 0.58
KDM4E B2RXH2 4/20 0.58
LMNA P02545 4/20 0.48
HTT P42858 2/20 0.48
MAPK10 P53779 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
BCL2 P10415 1/20 0.47
ALDH1A1 P00352 5/20 0.46
CLK4 Q9HAZ1 4/20 0.45
LRRK2 Q5S007 2/20 0.45
PRKACA P17612 1/20 0.45
CDK8 P49336 1/20 0.45
CLK2 P49760 1/20 0.45
GSK3A P49840 1/20 0.45
GSK3B P49841 1/20 0.45
CDK9 P50750 1/20 0.45
CDK5 Q00535 1/20 0.45
PRKCQ Q04759 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
SCHEMBL6350074 0.84 NRP1 (0.49) SMN1; SMN2ALDH1A1CDK8
SCHEMBL10330188 0.82 KDM4E (0.75) HPGDTSHRHSD17B10KDM4ELMNA
SCHEMBL22904294 0.81 KDM4E (0.55) HPGDTSHRHSD17B10KDM4ELMNA
SCHEMBL28467589 0.81 ALDH1A1 (0.63) HPGDTSHRHSD17B10KDM4ELMNA
SCHEMBL22904299 0.81 KDM4E (0.61) HPGDTSHRHSD17B10KDM4ELMNA
SCHEMBL19018356 0.78 ADORA1 (0.47) HPGDHSD17B10KDM4ESMN1; SMN2ALDH1A1
SCHEMBL6342286 0.77 ADORA2A (0.49) HPGDTSHRHSD17B10KDM4ELMNA
SCHEMBL12679716 0.76 ALDH1A1 (0.52) HPGDHSD17B10KDM4ELMNASMN1; SMN2
SCHEMBL6343690 0.74 CD274 (0.42) HPGDHSD17B10KDM4EHTTSMN1; SMN2
SCHEMBL6344769 0.74 HSD17B10 (0.46) HPGDTSHRHSD17B10KDM4EALDH1A1

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 HPGD 3167/4885TSHR 3964/4885HSD17B10 4128/4885

“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.