SCHEMBL4636823

SCHEMBL4636823

C=C1NC(=O)C(c2ccc3nccnc3c2)S1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC3 O15379 1/20 0.37
▸ HDAC4 P56524 1/20 0.37
▸ HDAC1 Q13547 1/20 0.37
▸ HDAC7 Q8WUI4 1/20 0.37
▸ HDAC8 Q9BY41 1/20 0.37
▸ HDAC9 Q9UKV0 1/20 0.37
▸ HDAC5 Q9UQL6 1/20 0.37
▸ NPC1 O15118 2/20 0.37
▸ RAB9A P51151 2/20 0.37
▸ PIK3CA P42336 2/20 0.37
▸ PIK3CD O00329 1/20 0.37
▸ CSNK2A2 P19784 1/20 0.37
▸ MAOB P27338 1/20 0.37
▸ PIK3CB P42338 1/20 0.37
▸ MTOR P42345 1/20 0.37
▸ PIK3CG P48736 1/20 0.37
▸ CLK1 P49759 1/20 0.37
▸ CSNK2B P67870 1/20 0.37
▸ CSNK2A1 P68400 1/20 0.37
▸ DYRK1A Q13627 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
SCHEMBL4537397 0.73 NCF1 (0.36) MAOBCA2
SCHEMBL14622471 0.71 CA2 (0.67) MAOBCA2MEN1KMT2ASMN1; SMN2
SCHEMBL4499514 0.59 CA2 (0.42) NPC1RAB9ACA2MEN1KMT2A
SCHEMBL13069778 0.59 CYP19A1 (0.55) NPC1RAB9APIK3CAPIK3CDCSNK2A2
SCHEMBL13487024 0.58 CYP2D6 (0.50) —
SCHEMBL31615356 0.58 HCAR1 (0.41) HDAC3HDAC4HDAC1HDAC7HDAC8
SCHEMBL11150673 0.57 CA2 (0.56) MAOBCISD1CA2MEN1KMT2A
SCHEMBL276632 0.57 ALDH1A1 (0.40) NPC1RAB9APIK3CAPIK3CDCSNK2A2
SCHEMBL24835731 0.56 IRAK4 (0.43) HDAC3HDAC4HDAC1HDAC7HDAC8
SCHEMBL542678 0.55 LMNA (0.52) NPC1RAB9APIK3CAPIK3CDCSNK2A2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080214455-A1 Novel Chemical Compounds SMITHKLINE BEECHAM CORPORATION 2008-09-04 — — US disclosed
EP-1879563-A4 NOVEL CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORP (US) 2008-07-16 — — EP disclosed
EP-1879563-A2 NOVEL CHEMICAL COMPOUNDS Smithkline Beecham Corporation (US) 2008-01-23 — — EP disclosed
WO-2006132739-A2 NOVEL CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2006-12-14 — — 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-20080214455-A1 Novel Chemical Compounds HIPK3, HIPK1, HIPK4 HDAC3 1012/4885HDAC4 1342/4885HDAC1 1549/4885

“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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