SCHEMBL4911095

SCHEMBL4911095

Clc1nc2ncnc-2c(N2CCSCC2)[nH]1

nearest known ligand 0.34

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 2/20 0.34
GAA P10253 1/20 0.34
NPSR1 Q6W5P4 4/20 0.33
CYP1A2 P05177 2/20 0.33
CYP2C9 P11712 2/20 0.33
CYP2C19 P33261 2/20 0.33
ALDH1A1 P00352 2/20 0.33
POLB P06746 2/20 0.33
KDM4E B2RXH2 2/20 0.32
MAPK1 P28482 2/20 0.32
LMNA P02545 1/20 0.32
TP53 P04637 1/20 0.32
HPGD P15428 1/20 0.32
TSHR P16473 1/20 0.32
HTT P42858 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
HSD17B10 Q99714 1/20 0.32
MAPT P10636 1/20 0.30

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) CYP1A2CYP2C19ALDH1A1KDM4EMAPK1
SCHEMBL4909293 0.82 TYMP (0.37) GAACYP1A2CYP2C19ALDH1A1KDM4E
SCHEMBL4901811 0.80 KDM4E (0.38) GAAALDH1A1KDM4ELMNATSHR
Hydrochloric Acid SCHEMBL4911304 0.79 KDM4E (0.41) GAAALDH1A1KDM4ELMNATSHR
SCHEMBL4913227 0.79 MAPT (0.40) GAANPSR1ALDH1A1POLBLMNA
Hydrochloric Acid SCHEMBL4899154 0.78 MAPT (0.39) GAANPSR1ALDH1A1POLBLMNA
SCHEMBL4907569 0.75 MAPT (0.47) GAACYP1A2CYP2C9CYP2C19ALDH1A1
SCHEMBL4911092 0.74 ADORA2A (0.30)
SCHEMBL4908143 0.74 HTR3E (0.48) GAAALDH1A1KDM4EMAPK1MAPT
Hydrochloric Acid SCHEMBL4901792 0.73 HTR3E (0.47) GAAALDH1A1KDM4EMAPK1MAPT

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 HIF1A 672/4885GAA 2214/4885NPSR1 3926/4885

“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.