SCHEMBL6344696

SCHEMBL6344696

NCc1c(Cc2ccccc2)cccc1-c1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 4/20 0.55
HTR2A P28223 1/20 0.47
LOXL2 Q9Y4K0 1/20 0.45
TAAR1 Q96RJ0 1/20 0.44
FOLH1 Q04609 1/20 0.41
PDCD1 Q15116 1/20 0.41
CD274 Q9NZQ7 1/20 0.41
HPGD P15428 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HTR7 P34969 1/20 0.39
SLC5A2 P31639 1/20 0.39
CSNK2A1 P68400 2/20 0.39
CALM1 P0DP23 1/20 0.38
DPP8 Q6V1X1 1/20 0.38
BCL2 P10415 1/20 0.37
BCL2L1 Q07817 1/20 0.37

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
SCHEMBL5562618 0.87 SLC5A2 (0.47) DPP4HTR2AFOLH1PDCD1CD274
SCHEMBL7047066 0.85 DPP4 (0.69) DPP4LOXL2TAAR1FOLH1PDCD1
SCHEMBL2991635 0.82 SLC5A2 (0.48) DPP4HTR2AFOLH1PDCD1CD274
SCHEMBL27670029 0.80 DPP4 (0.60) DPP4LOXL2TAAR1PDCD1CD274
SCHEMBL28409738 0.79 DPP4 (0.43) DPP4HTR2ATAAR1FOLH1PDCD1
Phenol SCHEMBL28257006 0.79 SLC5A2 (0.45) DPP4FOLH1PDCD1CD274HPGD
SCHEMBL31070319 0.78 DPP4 (0.58) DPP4HTR2AFOLH1PDCD1CD274
Hydrogen Sulfide SCHEMBL27639876 0.78 DPP4 (0.58) DPP4LOXL2TAAR1PDCD1CD274
SCHEMBL340250 0.78 DPP4 (0.58) DPP4HTR2AFOLH1PDCD1CD274
SCHEMBL31303138 0.78 DPP4 (0.64) DPP4LOXL2TAAR1FOLH1PDCD1

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 DPP4 2118/4885HTR2A 3461/4885LOXL2 2853/4885

“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.