SCHEMBL3543086

SCHEMBL3543086

CN1CCC(NC(=O)c2csc(N)n2)CC1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMYD3 Q9H7B4 3/20 0.46
MAPKAPK2 P49137 4/20 0.44
CHRNB2 P17787 1/20 0.43
CHRNB4 P30926 1/20 0.43
CHRNA3 P32297 1/20 0.43
CHRNA4 P43681 1/20 0.43
MAPK14 Q16539 1/20 0.43
TYR P14679 1/20 0.42
BRD4 O60885 1/20 0.41
KDM4E B2RXH2 1/20 0.41
MEN1 O00255 1/20 0.41
ALDH1A1 P00352 1/20 0.41
MAPT P10636 1/20 0.41
KMT2A Q03164 1/20 0.41
HDAC4 P56524 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
TAF1 P21675 1/20 0.40
CECR2 Q9BXF3 1/20 0.40
BRD9 Q9H8M2 1/20 0.40

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
SCHEMBL19899748 0.87 MAPK14 (0.49) SMYD3MAPK14TYRKDM4EMEN1
SCHEMBL14820042 0.86 ALDH1A1 (0.41) SMYD3MAPK14TYRKDM4EMEN1
SCHEMBL19886782 0.83 TYR (0.57) TYRMEN1ALDH1A1KMT2A
SCHEMBL4891224 0.81 PARP1 (0.50) MEN1ALDH1A1KMT2AHDAC4
SCHEMBL4883868 0.78 PRKAA2 (0.61)
SCHEMBL14805821 0.78 MAPT (0.40) MAPK14TYRKDM4EMEN1ALDH1A1
SCHEMBL22725199 0.77 SMYD3 (0.51) SMYD3CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL19813916 0.75 TRPC3 (0.47) MAPK14MEN1ALDH1A1MAPTKMT2A
SCHEMBL2990215 0.74 PRKAB2 (0.50) SMYD3CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL24150861 0.74 SMYD3 (0.45) SMYD3CHRNB2CHRNB4CHRNA3CHRNA4

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-7709471-B2 Compounds ASTRAZENECA AB (SE) 2010-05-04 US disclosed
CN-101511836-A Fused pyrimido compounds ASTRAZENECA AB (SE) 2009-08-19 CN disclosed
EP-2046793-A2 FUSED PYRIMIDO COMPOUNDS AstraZeneca AB (SE) 2009-04-15 EP disclosed
WO-2008003958-A2 FUSED PYRIMIDO COMPOUNDS ASTRAZENECA AB (SE) 2008-01-10 WO disclosed
US-20080009482-A1 NOVEL COMPOUNDS ASTRAZENECA AB (SE) 2008-01-10 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-20080009482-A1 NOVEL COMPOUNDS CYP11B2, CYP11B1, CYP46A1 SMYD3 4712/4885MAPKAPK2 1202/4885CHRNB2 3678/4885

“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.