SCHEMBL4909293

SCHEMBL4909293

Clc1nc2ncnc-2c(N2CCOCC2)[nH]1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TYMP P19971 1/20 0.37
TP53 P04637 1/20 0.36
KDM4E B2RXH2 2/20 0.36
GAA P10253 1/20 0.36
MAPK1 P28482 2/20 0.35
CHEK1 O14757 1/20 0.35
PDPK1 O15530 1/20 0.35
PAK1 Q13153 1/20 0.35
JAK3 P52333 1/20 0.35
LRRK2 Q5S007 1/20 0.34
ADK P55263 1/20 0.34
STK4 Q13043 1/20 0.34
STK3 Q13188 1/20 0.34
ALDH1A1 P00352 2/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2D6 P10635 1/20 0.34
MAPT P10636 1/20 0.34
PIM1 P11309 1/20 0.34
TSHR P16473 1/20 0.34
KCNMA1 Q12791 1/20 0.34

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
SCHEMBL4908538 0.85 HPGD (0.36) TYMPTP53KDM4EMAPK1JAK3
SCHEMBL4911092 0.82 ADORA2A (0.30)
SCHEMBL4913227 0.82 MAPT (0.40) GAAALDH1A1MAPTSMN1; SMN2
Hydrochloric Acid SCHEMBL4899154 0.81 MAPT (0.39) GAAALDH1A1MAPTSMN1; SMN2
SCHEMBL4901811 0.80 KDM4E (0.38) KDM4EGAAALDH1A1CYP2D6MAPT
Hydrochloric Acid SCHEMBL4911304 0.79 KDM4E (0.41) KDM4EGAAALDH1A1CYP2D6MAPT
SCHEMBL4907569 0.75 MAPT (0.47) TP53GAAALDH1A1CYP1A2CYP2D6
SCHEMBL4922170 0.73 NPC1 (0.49) KDM4EMAPK1ALDH1A1CYP1A2SMN1; SMN2
SCHEMBL4901771 0.73 ALDH1A1 (0.53) KDM4EALDH1A1MAPTTSHR
SCHEMBL4910144 0.72 NR3C1 (0.45) ALDH1A1MAPTTSHRSMN1; SMN2HSD17B10

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 2 patents. 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 claimed
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 TYMP 1/4885TP53 285/4885KDM4E 4316/4885

“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.