SCHEMBL4905248

SCHEMBL4905248

COc1cc(C(=O)N2CCN(c3[nH]c(Cl)nc4ncnc3-4)CC2)cc(OC)c1OC

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.51
CDK5 Q00535 1/20 0.51
CDK5R1 Q15078 1/20 0.51
HTT P42858 2/20 0.49
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
TSHR P16473 1/20 0.49
MAPK1 P28482 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
POLB P06746 1/20 0.49
ALDH1A1 P00352 3/20 0.48
CYP1A2 P05177 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.47
GAA P10253 1/20 0.47
NPSR1 Q6W5P4 1/20 0.46
CYP3A4 P08684 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
PKM P14618 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
SCHEMBL10334481 0.73 POLB (0.84) LMNAHTTKMT2ASMN1; SMN2POLB
SCHEMBL4900174 0.72 ACHE (0.47) LMNAHTTMEN1KMT2ATSHR
SCHEMBL14183767 0.69 LMNA (0.50) LMNACDK5CDK5R1HTTMEN1
SCHEMBL16276134 0.69 LMNA (0.63) LMNACDK5CDK5R1HTTTSHR
SCHEMBL14076355 0.69 POLB (0.97) LMNAHTTKMT2ASMN1; SMN2POLB
SCHEMBL27535462 0.68 POLB (0.74) LMNAHTTMEN1KMT2ASMN1; SMN2
SCHEMBL4909293 0.68 TYMP (0.37) TSHRMAPK1SMN1; SMN2ALDH1A1CYP1A2
SCHEMBL160520 0.68 POLB (0.68) LMNACDK5CDK5R1HTTSMN1; SMN2
SCHEMBL6481645 0.68 PKM (0.82) LMNAHTTSMN1; SMN2POLBALDH1A1
SCHEMBL4913227 0.67 MAPT (0.40) LMNAHTTKMT2ASMN1; SMN2POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080119467-A1 Purine Derivatives, Compositions Containing Them and Use Thereof AVENTIS PHARMA S.A. (FR) 2008-05-22 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-20080119467-A1 Purine Derivatives, Compositions Containing Them and Use Thereof TYMP, HPRT1, IMPDH1 LMNA 2248/4885CDK5 1550/4885CDK5R1 1556/4885

“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.