SCHEMBL4892709

SCHEMBL4892709

CCOC(=O)c1ccc(Nc2nc(Nc3ccccc3N(C)C)nc3[nH]cnc23)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.50
KMT2A Q03164 4/20 0.50
KDM4E B2RXH2 4/20 0.50
HPGD P15428 4/20 0.50
SMN1; SMN2 Q16637 3/20 0.50
TP53 P04637 3/20 0.50
NPC1 O15118 3/20 0.50
HSD17B10 Q99714 1/20 0.50
ALK Q9UM73 1/20 0.49
MAPT P10636 6/20 0.46
ALDH1A1 P00352 4/20 0.46
MEN1 O00255 3/20 0.46
GAA P10253 2/20 0.46
CYP1A2 P05177 1/20 0.46
POLB P06746 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46

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
SCHEMBL7112340 0.87 GSK3B (0.45) KMT2AMAPTMEN1AURKA
SCHEMBL4898620 0.87 ALK (0.61) RAB9AKMT2AKDM4EHPGDSMN1; SMN2
SCHEMBL4892691 0.86 ALK (0.55) RAB9AKMT2AKDM4EHPGDSMN1; SMN2
SCHEMBL7107687 0.83 ALK (0.57) RAB9AKMT2AKDM4EHPGDSMN1; SMN2
SCHEMBL4893816 0.81 SMN1; SMN2 (0.59) RAB9AKMT2AKDM4EHPGDSMN1; SMN2
SCHEMBL4894962 0.80 BRAF (0.54) RAB9AKMT2AKDM4EHPGDSMN1; SMN2
SCHEMBL7104854 0.78 SMN1; SMN2 (0.56) RAB9AKMT2AKDM4EHPGDSMN1; SMN2
SCHEMBL4901287 0.77 RAB9A (0.50) RAB9AKMT2AKDM4EHPGDSMN1; SMN2
SCHEMBL4891943 0.76 RAB9A (0.49) RAB9AKMT2AKDM4EHPGDSMN1; SMN2
SCHEMBL4544847 0.72 MEN1 (0.64) RAB9AKMT2AKDM4EHPGDSMN1; SMN2

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 RAB9A 3267/4885KMT2A 1869/4885KDM4E 1724/4885
US-20080090849-A1 NOVEL PURINE DERIVATIVES, PREPARATION METHOD AND USE AS MEDICINES CDK1, CDK6, PNP RAB9A 3073/4885KMT2A 1456/4885KDM4E 1381/4885
US-20060074095-A1 Novel purine derivatives, preparation method and use as medicines CDK1, CDK6, PNP RAB9A 3104/4885KMT2A 1673/4885KDM4E 1569/4885

“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.