SCHEMBL4892691

SCHEMBL4892691

CCOC(=O)c1ccc(Nc2nc(Nc3ccc(N(C)C)cc3)nc3[nH]cnc23)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALK Q9UM73 1/20 0.55
MAPT P10636 7/20 0.52
RAB9A P51151 5/20 0.52
KMT2A Q03164 4/20 0.52
MEN1 O00255 2/20 0.52
THRB P10828 1/20 0.52
KDM4E B2RXH2 5/20 0.52
HPGD P15428 4/20 0.52
NPC1 O15118 3/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
HSD17B10 Q99714 2/20 0.52
TP53 P04637 1/20 0.52
ALDH1A1 P00352 5/20 0.49
L3MBTL1 Q9Y468 2/20 0.49
PDPK1 O15530 1/20 0.48
MAPK1 P28482 2/20 0.47
LMNA P02545 1/20 0.47
HTT P42858 1/20 0.47
GAA P10253 2/20 0.46
POLB P06746 2/20 0.45

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
SCHEMBL4898620 0.93 ALK (0.61) ALKMAPTRAB9AKMT2AMEN1
SCHEMBL7107687 0.89 ALK (0.57) ALKMAPTRAB9AKMT2AMEN1
SCHEMBL4892709 0.86 RAB9A (0.50) ALKMAPTRAB9AKMT2AMEN1
SCHEMBL7112335 0.86 GSK3B (0.46) MAPTRAB9AKMT2AMEN1NPC1
SCHEMBL4893816 0.85 SMN1; SMN2 (0.59) ALKMAPTRAB9AKMT2AMEN1
SCHEMBL4894962 0.84 BRAF (0.54) ALKMAPTRAB9AKMT2AMEN1
SCHEMBL7104854 0.81 SMN1; SMN2 (0.56) ALKMAPTRAB9AKMT2AMEN1
SCHEMBL4901287 0.80 RAB9A (0.50) ALKMAPTRAB9AKMT2AMEN1
SCHEMBL4891943 0.80 RAB9A (0.49) ALKMAPTRAB9AKMT2AMEN1
SCHEMBL12253193 0.74 MEN1 (0.83) ALKMAPTRAB9AKMT2AMEN1

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 ALK 2746/4885MAPT 3807/4885RAB9A 3267/4885
US-20080090849-A1 NOVEL PURINE DERIVATIVES, PREPARATION METHOD AND USE AS MEDICINES CDK1, CDK6, PNP ALK 1968/4885MAPT 3199/4885RAB9A 3073/4885
US-20060074095-A1 Novel purine derivatives, preparation method and use as medicines CDK1, CDK6, PNP ALK 2380/4885MAPT 3734/4885RAB9A 3104/4885

“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.