SCHEMBL5997151

SCHEMBL5997151

Clc1nc(-c2cccs2)nc2nc[nH]c12

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 1/20 0.57
MTOR P42345 1/20 0.57
PIK3CG P48736 1/20 0.57
DPP4 P27487 1/20 0.47
GBA1 P04062 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.45
ADORA3 P0DMS8 7/20 0.45
ADORA1 P30542 6/20 0.45
ADORA2A P29274 5/20 0.45
ADORA2B P29275 1/20 0.45
MGMT P16455 1/20 0.42
LMNA P02545 1/20 0.36
CHEK1 O14757 1/20 0.36

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
SCHEMBL10379222 0.82 PIK3CA (0.57) PIK3CAMTORPIK3CGGBA1SMN1; SMN2
SCHEMBL5997136 0.77 PIK3CA (0.40) PIK3CAMTORPIK3CGGBA1SMN1; SMN2
SCHEMBL27617930 0.73 PIK3CA (0.47) PIK3CAMTORPIK3CGGBA1SMN1; SMN2
SCHEMBL5998120 0.72 PIK3CA (0.46) PIK3CAMTORPIK3CGGBA1SMN1; SMN2
SCHEMBL540122 0.71 MGMT (0.58) PIK3CAMTORPIK3CGDPP4ADORA1
SCHEMBL10380576 0.71 PIK3CA (0.45) PIK3CAMTORPIK3CGGBA1SMN1; SMN2
SCHEMBL6783434 0.70 GRIA1 (0.59) PIK3CAMTORPIK3CGSMN1; SMN2ADORA3
SCHEMBL19148655 0.69 KDM4E (0.58) SMN1; SMN2ADORA3ADORA1ADORA2AADORA2B
SCHEMBL356178 0.69 DPP4 (0.61) DPP4ADORA3
SCHEMBL11702923 0.68 ADORA2A (0.51) SMN1; SMN2ADORA3ADORA1ADORA2AADORA2B

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.