SCHEMBL4905049

SCHEMBL4905049

Clc1nc2ncnc-2c(N2CCN(C(c3ccccc3)c3ccccc3)CC2)[nH]1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 1/20 0.45
ABCC1 P33527 1/20 0.45
ABCG2 Q9UNQ0 1/20 0.45
NPSR1 Q6W5P4 3/20 0.44
KDM4E B2RXH2 2/20 0.44
ALDH1A1 P00352 5/20 0.43
GAA P10253 1/20 0.43
POLB P06746 2/20 0.42
LMNA P02545 4/20 0.41
TDP1 Q9NUW8 2/20 0.41
HPGD P15428 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
TSHR P16473 4/20 0.41
MEN1 O00255 4/20 0.41
KMT2A Q03164 4/20 0.41
MAPK1 P28482 3/20 0.41
TP53 P04637 2/20 0.41
ALOX15 P16050 2/20 0.41
USP2 O75604 1/20 0.41
HSD17B10 Q99714 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
SCHEMBL4905231 0.96 ABCC1 (0.42) ABCB1ABCC1ABCG2NPSR1KDM4E
SCHEMBL4913227 0.84 MAPT (0.40) ABCC1ABCG2NPSR1ALDH1A1GAA
Hydrochloric Acid SCHEMBL4899154 0.83 MAPT (0.39) ABCC1ABCG2NPSR1ALDH1A1GAA
SCHEMBL4910047 0.80 ALDH1A1 (0.46) ABCB1ABCC1ABCG2NPSR1KDM4E
Hydrochloric Acid SCHEMBL4884319 0.79 ALDH1A1 (0.45) ABCB1ABCC1ABCG2NPSR1KDM4E
SCHEMBL4907107 0.78 MAPT (0.48) ABCB1ABCC1ABCG2NPSR1KDM4E
SCHEMBL4901771 0.78 ALDH1A1 (0.53) KDM4EALDH1A1POLBLMNATSHR
SCHEMBL4901811 0.77 KDM4E (0.38) KDM4EALDH1A1GAALMNATSHR
SCHEMBL4908538 0.76 HPGD (0.36) KDM4EALDH1A1LMNAHPGDSMN1; SMN2
Hydrochloric Acid SCHEMBL4911304 0.76 KDM4E (0.41) KDM4EALDH1A1GAALMNATSHR

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 ABCB1 59/4885ABCC1 64/4885ABCG2 101/4885

“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.