SCHEMBL4911327

SCHEMBL4911327

Clc1nc2ncnc-2c(N2CCN(c3cccnc3)CC2)[nH]1

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 4/20 0.43
CHRNA4 P43681 4/20 0.43
DRD4 P21917 2/20 0.42
DRD2 P14416 1/20 0.42
DRD3 P35462 1/20 0.42
MAPT P10636 1/20 0.41
TRPV6 Q9H1D0 1/20 0.38
PIK3CA P42336 1/20 0.37
MTOR P42345 1/20 0.37

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
SCHEMBL4913227 0.86 MAPT (0.40) DRD4DRD2DRD3MAPT
Hydrochloric Acid SCHEMBL4899154 0.85 MAPT (0.39) DRD4DRD2DRD3MAPT
SCHEMBL4907569 0.82 MAPT (0.47) DRD4MAPT
SCHEMBL4901811 0.80 KDM4E (0.38) DRD4DRD2DRD3MAPT
Hydrochloric Acid SCHEMBL4911304 0.79 KDM4E (0.41) DRD4DRD2DRD3MAPT
SCHEMBL4908538 0.76 HPGD (0.36)
SCHEMBL4912381 0.75 RPS6KB1 (0.37) MAPT
SCHEMBL4911095 0.74 HIF1A (0.34) MAPT
SCHEMBL4909293 0.74 TYMP (0.37) MAPTPIK3CAMTOR
SCHEMBL4908143 0.74 HTR3E (0.48) DRD4DRD3MAPT

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 CHRNB2 4654/4885CHRNA4 4714/4885DRD4 2822/4885

“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.