SCHEMBL4900174

SCHEMBL4900174

COc1ccc(CN2CCN(c3[nH]c(Cl)nc4ncnc3-4)CC2)cc1OC

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 4/20 0.47
BACE1 P56817 4/20 0.47
ALDH1A1 P00352 5/20 0.47
KDM4E B2RXH2 4/20 0.47
KMT2A Q03164 3/20 0.47
DRD2 P14416 3/20 0.46
DRD4 P21917 2/20 0.46
DRD3 P35462 2/20 0.46
TSHR P16473 2/20 0.45
ALOX15 P16050 1/20 0.45
AURKA O14965 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
RAB9A P51151 2/20 0.44
LMNA P02545 1/20 0.43
MAPK1 P28482 1/20 0.43
HTT P42858 1/20 0.43
MAPT P10636 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
MEN1 O00255 1/20 0.43
NPC1 O15118 1/20 0.41

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
SCHEMBL4910047 0.82 ALDH1A1 (0.46) ACHEALDH1A1KDM4EKMT2ADRD4
Hydrochloric Acid SCHEMBL4884319 0.81 ALDH1A1 (0.45) ACHEALDH1A1KDM4EKMT2ADRD4
Hydrochloric Acid SCHEMBL4912422 0.76 LMNA (0.46) ALDH1A1DRD2DRD3RAB9ALMNA
SCHEMBL4901542 0.72 STAT1 (0.48) ACHEALDH1A1KDM4EKMT2ATSHR
SCHEMBL1600111 0.72 KMT2A (0.65) ALDH1A1KDM4EKMT2ATSHRALOX15
SCHEMBL4905248 0.72 LMNA (0.51) ALDH1A1KMT2ATSHRSMN1; SMN2LMNA
SCHEMBL4908538 0.70 HPGD (0.36) ACHEALDH1A1KDM4EKMT2ATSHR
SCHEMBL10696789 0.69 KMT2A (0.56) ALDH1A1KDM4EKMT2ATSHRALOX15
Hydrochloric Acid SCHEMBL4899154 0.69 MAPT (0.39) ALDH1A1KMT2ADRD2DRD4DRD3
SCHEMBL4901811 0.68 KDM4E (0.38) ALDH1A1KDM4EKMT2ADRD2DRD4

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 ACHE 4419/4885BACE1 3028/4885ALDH1A1 191/4885

“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.