SCHEMBL3538717

SCHEMBL3538717

CCC(C)N1CCC(=O)N(C)c2cnc(Cl)nc21

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.34
CYP11B1 P15538 1/20 0.32
CYP11B2 P19099 1/20 0.32
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
ABL1 P00519 1/20 0.31
BCR P11274 1/20 0.31
RPS6KA3 P51812 1/20 0.31
BMPR1B O00238 1/20 0.31
BMPR1A P36894 1/20 0.31
TGFBR1 P36897 1/20 0.31
ACVRL1 P37023 1/20 0.31
ACVR1 Q04771 1/20 0.31
PLK1 P53350 6/20 0.30
TTK P33981 4/20 0.30
DCLK1 O15075 1/20 0.30
MAPK7 Q13164 1/20 0.30
LRRK2 Q5S007 1/20 0.30

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
SCHEMBL1203578 0.90 SMN1; SMN2 (0.35) SMN1; SMN2CYP11B1CYP11B2ABL1BCR
SCHEMBL7747078 0.88 RPS6KA3 (0.36) SMN1; SMN2KDM4EALDH1A1NPSR1L3MBTL1
SCHEMBL3542245 0.87 SMN1; SMN2 (0.37) SMN1; SMN2CYP11B1CYP11B2ABL1BCR
SCHEMBL3544447 0.87 PLK1 (0.33) SMN1; SMN2CYP11B1CYP11B2ABL1BCR
SCHEMBL3542184 0.82 SMN1; SMN2 (0.40) SMN1; SMN2CYP11B1CYP11B2ABL1BCR
SCHEMBL3548150 0.79 RPS6KA3 (0.37) SMN1; SMN2CYP11B1CYP11B2L3MBTL1ABL1
SCHEMBL3543954 0.78 RPS6KA3 (0.45) SMN1; SMN2CYP11B1CYP11B2ABL1BCR
SCHEMBL2874984 0.77 RPS6KA3 (0.36) SMN1; SMN2ABL1BCRRPS6KA3
SCHEMBL1203941 0.77 TTK (0.35) SMN1; SMN2CYP11B1CYP11B2ABL1BCR
SCHEMBL3668641 0.77 ALDH1A1 (0.35) SMN1; SMN2CYP11B1CYP11B2KDM4EALDH1A1

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-7709471-B2 Compounds ASTRAZENECA AB (SE) 2010-05-04 US 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 SMN1; SMN2 1059/4885CYP11B1 2/4885CYP11B2 1/4885

“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.