SCHEMBL3396077

SCHEMBL3396077

COc1ncc(CBr)cc1Cl

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
CYP2C9 P11712 2/20 0.38
TSHR P16473 1/20 0.38
APEX1 P27695 1/20 0.38
CDK2 P24941 1/20 0.35
GSK3B P49841 1/20 0.35
PDE5A O76074 2/20 0.35
GPR52 Q9Y2T5 1/20 0.34
MAPK1 P28482 1/20 0.33
KCNJ5 P48544 1/20 0.33
KCNJ3 P48549 1/20 0.33
TDP1 Q9NUW8 2/20 0.33
MAPT P10636 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
HCRTR1 O43613 2/20 0.32
HCRTR2 O43614 2/20 0.32
SLC6A2 P23975 2/20 0.32
SLC6A4 P31645 2/20 0.32
MEN1 O00255 1/20 0.32

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
SCHEMBL10332075 0.83 SMN1; SMN2 (0.39) LMNASMN1; SMN2CYP2C9TSHRAPEX1
SCHEMBL19584225 0.83 LMNA (0.39) LMNASMN1; SMN2CYP2C9TSHRAPEX1
SCHEMBL16816819 0.81 LOX (0.41) LMNASMN1; SMN2CYP2C9TSHRAPEX1
SCHEMBL21909730 0.81 LMNA (0.38) LMNASMN1; SMN2CYP2C9TSHRAPEX1
SCHEMBL366394 0.81 NPC1 (0.43) LMNASMN1; SMN2CYP2C9TSHRAPEX1
SCHEMBL19330349 0.79 PIK3CA (0.39) TSHRMAPK1
SCHEMBL1922733 0.79 S100A9 (0.35) TSHRMAPT
SCHEMBL30716603 0.79 PIK3CA (0.39) TSHRMAPK1
SCHEMBL24086637 0.79 SMN1; SMN2 (0.36) LMNASMN1; SMN2CYP2C9TSHRAPEX1
SCHEMBL14653151 0.79 POLB (0.37) LMNASMN1; SMN2CYP2C9TSHRAPEX1

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
EP-2145888-A1 Deazapurine derivatives as HSP90-Inhibitors Conforma Therapeutics Corporation (US) 2010-01-20 EP disclosed
US-20070185064-A1 2-Aminopurine Analogs Having HSP90-Inhibiting Activity CONFORMA THERAPEUTICS CORPORATION (US) 2007-08-09 US disclosed
US-7138401-B2 2-aminopurine analogs having HSP90-inhibiting activity CONFORMA THERAPEUTICS CORPORATION (US) 2006-11-21 US disclosed
EP-1670802-A2 NOVEL HETEROCYCLIC COMPOUNDS AS HSP90-INHIBITORS Conforma Therapeutic Corporation (US) 2006-06-21 EP disclosed
US-20050113340-A1 2-Aminopurine analogs having HSP90-inhibiting activity CONFORMA THERAPEUTICS CORPORATION 2005-05-26 US disclosed
WO-2005028434-A2 NOVEL HETEROCYCLIC COMPOUNDS AS HSP90-INHIBITORS CONFORMA THERAPEUTICS CORPORATION (US) 2005-03-31 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-20050113340-A1 2-Aminopurine analogs having HSP90-inhibiting activity HSP90AB2P, HSP90AB1, HSP90AA1 LMNA 4492/4885SMN1; SMN2 2444/4885CYP2C9 2740/4885
US-20070185064-A1 2-Aminopurine Analogs Having HSP90-Inhibiting Activity HSP90AB2P, HSP90AB1, HSP90AA1 LMNA 4492/4885SMN1; SMN2 2444/4885CYP2C9 2740/4885

“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.