SCHEMBL6344376

SCHEMBL6344376

CC(C)Nc1cccc(-c2ccccc2)c1CN

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 4/20 0.42
F7 P08709 3/20 0.38
DPP8 Q6V1X1 1/20 0.38
F3 P13726 1/20 0.38
AOC1 P19801 3/20 0.37
AOC3 Q16853 2/20 0.37
TDP1 Q9NUW8 1/20 0.37
F2 P00734 1/20 0.37
ADRA1B P35368 1/20 0.37
ADRA2A P08913 1/20 0.37
ADRA2B P18089 1/20 0.37
ADRA2C P18825 1/20 0.37
MAOA P21397 1/20 0.37
MAOB P27338 1/20 0.37
FFAR4 Q5NUL3 1/20 0.36
TAAR1 Q96RJ0 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
ALDH1A1 P00352 2/20 0.36
NPSR1 Q6W5P4 1/20 0.36
KCNQ2 O43526 1/20 0.35

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
SCHEMBL6350962 0.86 ADRA2A (0.40) DPP4ADRA2AADRA2BADRA2CMAOA
SCHEMBL12223407 0.79 ADRA2A (0.51) TDP1ADRA2AADRA2BADRA2CMAOA
SCHEMBL6346667 0.77 TDP1 (0.46) DPP4DPP8TDP1TAAR1SMN1; SMN2
SCHEMBL27670029 0.76 DPP4 (0.60) DPP4DPP8TAAR1ALDH1A1CYP3A4
SCHEMBL6344385 0.76 DPP4 (0.43) DPP4DPP8TDP1SMN1; SMN2ALDH1A1
SCHEMBL4797010 0.76 ADRA2A (0.47) TDP1ADRA2AADRA2BADRA2CMAOA
SCHEMBL27922809 0.75 ADRA2A (0.45) TDP1ADRA2AADRA2BADRA2CMAOA
SCHEMBL16429614 0.75 HNF4A (0.44) F7TDP1ADRA2AADRA2BADRA2C
SCHEMBL8488849 0.75 AOC1 (0.40) AOC1AOC3TDP1FFAR4TAAR1
Hydrogen Sulfide SCHEMBL27639876 0.74 DPP4 (0.58) DPP4DPP8TAAR1ALDH1A1CYP3A4

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 2118/4885F7 4878/4885DPP8 1085/4885

“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.