SCHEMBL4908538

SCHEMBL4908538

Clc1nc2ncnc-2c(N2CCCCC2)[nH]1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.36
TSHR P16473 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
TP53 P04637 2/20 0.36
NPC1 O15118 1/20 0.36
NFKB1 P19838 1/20 0.36
RAB9A P51151 1/20 0.36
GFER P55789 1/20 0.36
NFKB2 Q00653 1/20 0.36
RELA Q04206 1/20 0.36
TYMP P19971 2/20 0.34
BCHE P06276 1/20 0.33
ACHE P22303 1/20 0.33
HTT P42858 4/20 0.33
LMNA P02545 2/20 0.33
ALOX15 P16050 1/20 0.33
AKT2 P31751 1/20 0.33
MAP3K5 Q99683 1/20 0.33
JAK3 P52333 1/20 0.32
CYP1A2 P05177 2/20 0.32

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
SCHEMBL4909293 0.85 TYMP (0.37) TSHRSMN1; SMN2TP53TYMPJAK3
SCHEMBL4911095 0.85 HIF1A (0.34) HPGDTSHRSMN1; SMN2TP53HTT
SCHEMBL4905231 0.83 ABCC1 (0.42) HPGDTSHRSMN1; SMN2TP53ACHE
SCHEMBL4901811 0.82 KDM4E (0.38) TSHRNPC1RAB9AHTTLMNA
Hydrochloric Acid SCHEMBL4911304 0.81 KDM4E (0.41) TSHRNPC1RAB9AHTTLMNA
SCHEMBL4913227 0.81 MAPT (0.40) HPGDSMN1; SMN2NPC1NFKB1RAB9A
Hydrochloric Acid SCHEMBL4899154 0.80 MAPT (0.39) HPGDSMN1; SMN2NPC1NFKB1RAB9A
SCHEMBL4907569 0.77 MAPT (0.47) SMN1; SMN2TP53RAB9AGFERHTT
SCHEMBL4910047 0.77 ALDH1A1 (0.46) HPGDTSHRSMN1; SMN2TP53NPC1
SCHEMBL4905049 0.76 ABCB1 (0.45) HPGDTSHRSMN1; SMN2TP53ACHE

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 HPGD 486/4885TSHR 4609/4885SMN1; SMN2 1202/4885

“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.