SCHEMBL825772

SCHEMBL825772

CCCC[Sn](CCCC)(CCCC)c1ncc(NC(=O)C(C)(C)C)s1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.38
RAB9A P51151 5/20 0.38
NPC1 O15118 4/20 0.38
HTT P42858 2/20 0.38
MAPK10 P53779 1/20 0.34
MAPT P10636 3/20 0.33
CCNB2 O95067 1/20 0.33
CCNE2 O96020 1/20 0.33
CDK1 P06493 1/20 0.33
CDK4 P11802 1/20 0.33
CCNB1 P14635 1/20 0.33
CCND1 P24385 1/20 0.33
CCNE1 P24864 1/20 0.33
CDK2 P24941 1/20 0.33
CCNB3 Q8WWL7 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
LMNA P02545 2/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
GAA P10253 1/20 0.32

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
SCHEMBL577762 0.69 NOS1 (0.36)
SCHEMBL25261082 0.68 MAPT (0.31) MAPT
SCHEMBL31437242 0.68 KDM6B (0.41) SMN1; SMN2RAB9ANPC1L3MBTL1LMNA
SCHEMBL26674657 0.68 KDM6B (0.41) SMN1; SMN2RAB9ANPC1L3MBTL1LMNA
SCHEMBL28716150 0.67 KAT2B (0.30)
SCHEMBL15921564 0.65 CCNE1 (0.34) SMN1; SMN2CDK1CDK4CCNB1CCND1
SCHEMBL3845246 0.65 CCNE1 (0.31) CCNE1CDK2
SCHEMBL2619356 0.65 L3MBTL1 (0.53) SMN1; SMN2RAB9ANPC1MAPTL3MBTL1
SCHEMBL31055871 0.64
SCHEMBL1094706 0.63 CCNE1 (0.40) SMN1; SMN2RAB9AMAPK10CCNB2CCNE2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8143394-B2 Pyrido(3,2-d)pyrimidines useful for treating viral infections GILEAD SCIENCES, INC. (US) 2012-03-27 US disclosed
US-20090324543-A1 PYRIDO(3,2-d)PYRIMIDINES USEFUL FOR TREATING VIRAL INFECTIONS GILEAD SCIENCES, INC (US) 2009-12-31 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-20090324543-A1 PYRIDO(3,2-d)PYRIMIDINES USEFUL FOR TREATING VIRAL INFECTIONS PNPO, DPYD, PLPBP SMN1; SMN2 1295/4885RAB9A 3030/4885NPC1 3135/4885

“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.