SCHEMBL3649511

SCHEMBL3649511

O=C(c1ccccc1)N1CC[C@H](Nc2nccc(-c3ccc4ccccc4c3)n2)C1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC8 Q9BY41 1/20 0.54
▸ CCNK O75909 7/20 0.53
▸ CDK12 Q9NYV4 7/20 0.53
▸ MAPK10 P53779 4/20 0.49
▸ AURKA O14965 1/20 0.48
▸ TTK P33981 1/20 0.48
▸ AURKB Q96GD4 1/20 0.48
▸ INCENP Q9NQS7 1/20 0.48
▸ NOS3 P29474 1/20 0.48
▸ NOS1 P29475 1/20 0.48
▸ NOS2 P35228 1/20 0.48
▸ CCNA2 P20248 5/20 0.47
▸ CDK2 P24941 5/20 0.47
▸ CDK7 P50613 4/20 0.47
▸ CCNH P51946 4/20 0.47
▸ MNAT1 P51948 4/20 0.47
▸ CYP3A4 P08684 1/20 0.47
▸ MAPK8 P45983 2/20 0.47
▸ MAPK9 P45984 2/20 0.47
▸ PIKFYVE Q9Y2I7 1/20 0.47

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
SCHEMBL3652656 1.00 HDAC8 (0.54) HDAC8CCNKCDK12MAPK10AURKA
SCHEMBL3649515 1.00 HDAC8 (0.54) HDAC8CCNKCDK12MAPK10AURKA
SCHEMBL3652017 0.94 HDAC8 (0.55) HDAC8CCNKCDK12MAPK10AURKA
SCHEMBL3653485 0.91 HDAC8 (0.54) HDAC8MAPK10AURKATTKAURKB
SCHEMBL3645036 0.91 HDAC8 (0.54) HDAC8MAPK10AURKATTKAURKB
SCHEMBL3647397 0.88 CYP11B2 (0.54) HDAC8MAPK10CDK2MAPK8MAPK9
SCHEMBL3649854 0.88 MAPK10 (0.55) HDAC8MAPK10MAPK8MAPK9
SCHEMBL3645248 0.88 CYP11B2 (0.54) HDAC8MAPK10CDK2MAPK8MAPK9
SCHEMBL3653853 0.88 MAPK10 (0.55) HDAC8MAPK10MAPK8MAPK9
SCHEMBL3647400 0.88 CYP11B2 (0.54) HDAC8MAPK10CDK2MAPK8MAPK9

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
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-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
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 1830/4885CCNK 578/4885CDK12 180/4885

“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.

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