SCHEMBL3652017

SCHEMBL3652017

O=C(c1ccccc1)N1CCC(Nc2nccc(-c3ccc4ccccc4c3)n2)CC1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 1/20 0.55
NOS3 P29474 1/20 0.54
NOS1 P29475 1/20 0.54
NOS2 P35228 1/20 0.54
AURKA O14965 1/20 0.52
TTK P33981 1/20 0.52
AURKB Q96GD4 1/20 0.52
INCENP Q9NQS7 1/20 0.52
DRD4 P21917 2/20 0.47
SYK P43405 3/20 0.47
IKBKB O14920 3/20 0.47
JUN P05412 2/20 0.47
MAPK8 P45983 2/20 0.47
MAPK9 P45984 2/20 0.47
MAPK10 P53779 1/20 0.47
CDK2 P24941 1/20 0.47
EPHX1 P07099 1/20 0.46
CCNK O75909 2/20 0.46
CDK12 Q9NYV4 2/20 0.46
ACACB O00763 1/20 0.46

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
SCHEMBL3649511 0.94 HDAC8 (0.54) HDAC8NOS3NOS1NOS2AURKA
SCHEMBL3649515 0.94 HDAC8 (0.54) HDAC8NOS3NOS1NOS2AURKA
SCHEMBL3652656 0.94 HDAC8 (0.54) HDAC8NOS3NOS1NOS2AURKA
SCHEMBL3653157 0.88 HDAC8 (0.55) HDAC8AURKATTKAURKBINCENP
SCHEMBL3647354 0.88 CYP11B2 (0.58) HDAC8AURKATTKAURKBINCENP
SCHEMBL3645036 0.87 HDAC8 (0.54) HDAC8AURKATTKAURKBINCENP
SCHEMBL3653485 0.87 HDAC8 (0.54) HDAC8AURKATTKAURKBINCENP
SCHEMBL3644560 0.87 HDAC8 (0.54) HDAC8AURKATTKAURKBINCENP
SCHEMBL3647701 0.85 CYP11B2 (0.58) HDAC8DRD4DKK1HTR2B
SCHEMBL3652907 0.85 HDAC8 (0.52) HDAC8AURKATTKAURKBINCENP

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
EP-2190824-A1 NAPHTHYLPYRIMIDINE, NAPHTHYLPYRAZINE AND NAPHTHYLPYRIDAZINE ANALOGS AND THEIR USE AS AGONISTS OF THE WNT-BETA-CATENIN CELLULAR MESSAGING SYSTEM Wyeth a Corporation of the State of Delaware (US) 2010-06-02 EP claimed
WO-2009026326-A1 NAPHTHYLPYRIMIDINE, NAPHTHYLPYRAZINE AND NAPHTHYLPYRIDAZINE ANALOGS AND THEIR USE AS AGONISTS OF THE WNT-BETA-CATENIN CELLULAR MESSAGING SYSTEM WYETH (US) 2009-02-26 WO claimed
US-20090054392-A1 NAPHTHYLPYRIMIDINE, NAPHTHYLPYRAZINE AND NAPHTHYLPYRIDAZINE ANALOGS AND THEIR USE AS AGONISTS OF THE WNT-BETA-CATENIN CELLULAR MESSAGING SYSTEM WYETH (US) 2009-02-26 US claimed
WO-2009026319-A1 NAPHTHYLPYRIMIDINE, NAPHTHYLPYRAZINE AND NAPHTHYLPYRIDAZINE ANALOGS AND THEIR USE AS AGONISTS OF THE WNT-BETA-CATENIN CELLULAR MESSAGING SYSTEM WYETH (US) 2009-02-26 WO claimed
US-20090054392-A1 NAPHTHYLPYRIMIDINE, NAPHTHYLPYRAZINE AND NAPHTHYLPYRIDAZINE ANALOGS AND THEIR USE AS AGONISTS OF THE WNT-BETA-CATENIN CELLULAR MESSAGING SYSTEM WYETH (US) 2009-02-26 US 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-20090054392-A1 NAPHTHYLPYRIMIDINE, NAPHTHYLPYRAZINE AND NAPHTHYLPYRIDAZINE ANALOGS AND THEIR USE AS AGONISTS OF THE WNT-BETA-CATENIN CELLULAR MESSAGING SYSTEM WNT1, CTNNB1, WNT3A HDAC8 1830/4885NOS3 3807/4885NOS1 3655/4885

“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.