SCHEMBL6344385

SCHEMBL6344385

Cc1ccccc1Nc1cccc(-c2ccccc2)c1CN

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 4/20 0.43
FABP4 P15090 3/20 0.42
ALDH1A1 P00352 5/20 0.41
MAPT P10636 4/20 0.39
KDM4E B2RXH2 2/20 0.39
HPGD P15428 1/20 0.39
FABP3 P05413 2/20 0.39
TDP1 Q9NUW8 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
MEN1 O00255 1/20 0.39
MAPK1 P28482 1/20 0.39
KMT2A Q03164 1/20 0.39
HTR7 P34969 1/20 0.39
TP53 P04637 2/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
PKM P14618 1/20 0.38
PKLR P30613 1/20 0.38
HTT P42858 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
SCHEMBL6346667 0.82 TDP1 (0.46) DPP4FABP4ALDH1A1MAPTKDM4E
SCHEMBL2482119 0.81 DPP4 (0.50) DPP4ALDH1A1HPGDMAPK1HTR7
SCHEMBL15895405 0.79 FABP4 (0.55) FABP4ALDH1A1MAPTKDM4EHPGD
SCHEMBL18777231 0.78 ADRA2A (0.54) FABP4ALDH1A1MAPTKDM4EHPGD
SCHEMBL6344376 0.76 DPP4 (0.42) DPP4ALDH1A1MAPTTDP1SMN1; SMN2
SCHEMBL27670029 0.75 DPP4 (0.60) DPP4ALDH1A1HPGDMAPK1TP53
SCHEMBL27534803 0.73 FABP4 (0.62) FABP4ALDH1A1MAPTKDM4EFABP3
Hydrogen Sulfide SCHEMBL27639876 0.73 DPP4 (0.58) DPP4ALDH1A1HPGDMAPK1TP53
SCHEMBL6344769 0.73 HSD17B10 (0.46) DPP4ALDH1A1KDM4EHPGDMEN1
SCHEMBL6350962 0.73 ADRA2A (0.40) DPP4MAPTMEN1MAPK1KMT2A

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 2118/4885FABP4 1266/4885ALDH1A1 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.