SCHEMBL4889926

SCHEMBL4889926

CCOC(=O)c1cccc(Nc2nc(N[C@H]3CC[C@H](N)CC3)nc3[nH]cnc23)c1

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPKAPK2 P49137 1/20 0.55
BRAF P15056 1/20 0.54
CDK1 P06493 7/20 0.48
PRKCA P17252 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
KDM4E B2RXH2 1/20 0.47
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
PDGFRA P16234 7/20 0.45
CCNE1 P24864 7/20 0.45
CDK2 P24941 7/20 0.45
MAPT P10636 2/20 0.44
LMNA P02545 1/20 0.44
POLB P06746 1/20 0.44
TP53 P04637 1/20 0.44
HPGD P15428 1/20 0.43

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
SCHEMBL4889912 1.00 MAPKAPK2 (0.55) MAPKAPK2BRAFCDK1PRKCASMN1; SMN2
SCHEMBL7110933 0.87 CSNK2A1 (0.47) CDK1PRKCAPDGFRACCNE1CDK2
SCHEMBL7110928 0.87 CSNK2A1 (0.47) CDK1PRKCAPDGFRACCNE1CDK2
SCHEMBL4893816 0.82 SMN1; SMN2 (0.59) BRAFSMN1; SMN2KDM4ENPC1RAB9A
SCHEMBL4898657 0.82 KDM4E (0.51) MAPKAPK2CDK1SMN1; SMN2KDM4ENPC1
SCHEMBL4898667 0.82 KDM4E (0.51) MAPKAPK2CDK1SMN1; SMN2KDM4ENPC1
SCHEMBL5627500 0.81 PDGFRA (0.67) PDGFRACCNE1CDK2
SCHEMBL5627505 0.81 PDGFRA (0.67) PDGFRACCNE1CDK2
SCHEMBL4891943 0.81 RAB9A (0.49) MAPKAPK2CDK1SMN1; SMN2KDM4ENPC1
Hydrochloric Acid SCHEMBL5193635 0.80 PDGFRA (0.66) PDGFRACCNE1CDK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7041824-B2 Purine derivatives, preparation method and use as medicines AVENTIS PHARMA S.A. (FR) 2006-05-09 US claimed
US-20040063732-A1 Novel purine derivatives, preparation method and use as medicines AVENTIS PHARMA S.A. (FR) 2004-04-01 US claimed
US-20080090849-A1 NOVEL PURINE DERIVATIVES, PREPARATION METHOD AND USE AS MEDICINES AVENTIS PHARMA S.A. (FR) 2008-04-17 US disclosed
US-7041824-B2 Purine derivatives, preparation method and use as medicines AVENTIS PHARMA S.A. (FR) 2006-05-09 US disclosed
US-20060074095-A1 Novel purine derivatives, preparation method and use as medicines AVENTIS PHARMA S.A. (FR) 2006-04-06 US disclosed
US-20040063732-A1 Novel purine derivatives, preparation method and use as medicines AVENTIS PHARMA S.A. (FR) 2004-04-01 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 (3 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-20040063732-A1 Novel purine derivatives, preparation method and use as medicines CDK1, CDK6, PNP MAPKAPK2 194/4885BRAF 330/4885CDK1 1/4885
US-20080090849-A1 NOVEL PURINE DERIVATIVES, PREPARATION METHOD AND USE AS MEDICINES CDK1, CDK6, PNP MAPKAPK2 195/4885BRAF 243/4885CDK1 1/4885
US-20060074095-A1 Novel purine derivatives, preparation method and use as medicines CDK1, CDK6, PNP MAPKAPK2 194/4885BRAF 315/4885CDK1 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.