SCHEMBL5997136

SCHEMBL5997136

Clc1nc(-c2cccs2)nc2[nH]cnc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 1/20 0.40
MTOR P42345 1/20 0.40
PIK3CG P48736 1/20 0.40
ADORA2A P29274 4/20 0.36
ADORA1 P30542 3/20 0.36
ADORA3 P0DMS8 3/20 0.36
PDE5A O76074 2/20 0.36
ADORA2B P29275 1/20 0.36
CHEK1 O14757 1/20 0.36
ALDH1A1 P00352 5/20 0.35
KDM4E B2RXH2 5/20 0.35
MAPT P10636 5/20 0.35
MEN1 O00255 4/20 0.35
KMT2A Q03164 4/20 0.35
TDP1 Q9NUW8 3/20 0.35
HPGD P15428 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
FLT3 P36888 1/20 0.35
SMN1; SMN2 Q16637 3/20 0.34
GBA1 P04062 3/20 0.34

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
SCHEMBL27157710 0.82 ADORA3 (0.48) PIK3CAMTORPIK3CGADORA2AADORA1
Hydrochloric Acid SCHEMBL1895411 0.81 ADORA3 (0.47) PIK3CAMTORPIK3CGADORA2AADORA1
SCHEMBL21595131 0.77 ADORA2A (0.49) ADORA2AADORA1CHEK1ALDH1A1KDM4E
SCHEMBL26968368 0.77 ADORA3 (0.48) ADORA2AADORA1ADORA3ADORA2BALDH1A1
SCHEMBL5997151 0.77 PIK3CA (0.57) PIK3CAMTORPIK3CGADORA2AADORA1
SCHEMBL8511903 0.75 KMT2A (0.49) ADORA2AADORA1ADORA3ADORA2BALDH1A1
SCHEMBL4439490 0.73 PIK3CA (0.69) PIK3CAMTORPIK3CGALDH1A1KDM4E
SCHEMBL30850780 0.73 NPC1 (0.41) PIK3CAMTORPIK3CGPDE5ACHEK1
SCHEMBL1811570 0.73 NPC1 (0.41) PIK3CAMTORPIK3CGPDE5ACHEK1
SCHEMBL5998112 0.72 MAPT (0.40) ADORA2AADORA1ADORA3ADORA2BCHEK1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060009642-A1 Methods for the synthesis of substituted purines IRM LLC, A DELAWARE LIMITED LIABILITY COMPANY (BM) 2006-01-12 US disclosed
US-6949644-B2 Methods for the synthesis of substituted purines IRM LLC (BM) 2005-09-27 US disclosed
EP-1529048-A4 METHODS FOR THE SYNTHESIS OF SUBSTITUTED PURINES IRM LLC (BM) 2005-09-14 EP disclosed
EP-1529048-A2 METHODS FOR THE SYNTHESIS OF SUBSTITUTED PURINES IRM LLC (BM) 2005-05-11 EP disclosed
US-20030171583-A1 Methods for the synthesis of substituted purines IRM LLC, A DELAWARE LIMITED LIABILITY COMPANY (BM) 2003-09-11 US disclosed
WO-2003031405-A2 METHODS FOR THE SYNTHESIS OF SUBSTITUTED PURINES IRM LLC (BM) 2003-04-17 WO 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 (2 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-20060009642-A1 Methods for the synthesis of substituted purines PNP, ATIC, NUDT1 PIK3CA 4389/4885MTOR 4488/4885PIK3CG 4495/4885
US-20030171583-A1 Methods for the synthesis of substituted purines PNP, ATIC, NUDT1 PIK3CA 4380/4885MTOR 4508/4885PIK3CG 4498/4885

“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.