SCHEMBL4913227

SCHEMBL4913227

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.40
KMT2A Q03164 2/20 0.40
TNKS O95271 1/20 0.40
TNKS2 Q9H2K2 1/20 0.40
ABCC1 P33527 1/20 0.40
ABCG2 Q9UNQ0 1/20 0.40
LMNA P02545 5/20 0.40
POLB P06746 2/20 0.39
DRD4 P21917 2/20 0.38
DRD2 P14416 1/20 0.38
DRD3 P35462 1/20 0.38
CETP P11597 1/20 0.38
ALDH1A1 P00352 2/20 0.38
GAA P10253 2/20 0.38
NPC1 O15118 2/20 0.38
HPGD P15428 1/20 0.38
NFKB1 P19838 1/20 0.38
HTT P42858 1/20 0.38
RAB9A P51151 1/20 0.38
NFKB2 Q00653 1/20 0.38

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
Hydrochloric Acid SCHEMBL4899154 0.99 MAPT (0.39) MAPTKMT2ATNKSTNKS2ABCC1
SCHEMBL4907569 0.87 MAPT (0.47) MAPTLMNADRD4ALDH1A1GAA
SCHEMBL4911327 0.86 CHRNB2 (0.43) MAPTDRD4DRD2DRD3
Hydrochloric Acid SCHEMBL4884319 0.84 ALDH1A1 (0.45) MAPTKMT2AABCC1ABCG2LMNA
SCHEMBL4907107 0.83 MAPT (0.48) MAPTKMT2AABCC1ABCG2DRD4
SCHEMBL4901771 0.83 ALDH1A1 (0.53) MAPTKMT2ALMNAPOLBALDH1A1
SCHEMBL4901811 0.82 KDM4E (0.38) MAPTKMT2ALMNADRD4DRD2
SCHEMBL4909293 0.82 TYMP (0.37) MAPTALDH1A1GAASMN1; SMN2
SCHEMBL4908538 0.81 HPGD (0.36) KMT2ALMNAALDH1A1NPC1HPGD
Hydrochloric Acid SCHEMBL4911304 0.81 KDM4E (0.41) MAPTKMT2ALMNADRD4DRD2

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 1 patent. 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

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 MAPT 4400/4885KMT2A 3845/4885TNKS 437/4885

“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.