SCHEMBL4084482

SCHEMBL4084482

Clc1nc(-c2cc(OCc3ccccc3)c(Cl)cc2Cl)c2nc[nH]c2n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.41
GRM4 Q14833 1/20 0.39
IDO1 P14902 1/20 0.39
RHEB Q15382 1/20 0.38
MRGPRX4 Q96LA9 1/20 0.37
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
PTGER1 P34995 1/20 0.36
PPIA P62937 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
STAT3 P40763 1/20 0.36
HTT P42858 1/20 0.36
NPC1 O15118 1/20 0.36
NFKB1 P19838 1/20 0.36
RAB9A P51151 1/20 0.36
NFKB2 Q00653 1/20 0.36
RELA Q04206 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
SCHEMBL4100975 0.86 HSP90AB1 (0.43) L3MBTL1GRM4IDO1RHEBMRGPRX4
SCHEMBL4101361 0.85 CCR5 (0.37) RHEBCYP2C19SMN1; SMN2
SCHEMBL4098709 0.77 HSP90AB1 (0.44) KDM4EALDH1A1CYP2C19SMN1; SMN2
SCHEMBL4091000 0.76 HSP90AB1 (0.51) KDM4ECYP2C19EGFR
SCHEMBL29661259 0.76 PIN1 (0.46) L3MBTL1IDO1CYP1A2CYP2C9CYP2C19
SCHEMBL7437643 0.76 PIN1 (0.46) L3MBTL1IDO1CYP1A2CYP2C9CYP2C19
SCHEMBL4094713 0.75 HSP90AB1 (0.51) KDM4ESMN1; SMN2
SCHEMBL4089680 0.72 DPP4 (0.46)
SCHEMBL4089765 0.71 IDH1 (0.39) KDM4EALDH1A1EGFRCTSS
SCHEMBL13765758 0.71 KDM4E (0.50) L3MBTL1IDO1KDM4EALDH1A1SMN1; SMN2

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-20090181989-A1 Purine Compunds as HSP90 Protein Inhibitors for the Treatment of Cancer VERNALIS ( R & D) LTD. (GB) 2009-07-16 US disclosed
US-20090181989-A1 Purine Compunds as HSP90 Protein Inhibitors for the Treatment of Cancer VERNALIS ( R & D) LTD. (GB) 2009-07-16 US disclosed
US-20090181989-A1 Purine Compunds as HSP90 Protein Inhibitors for the Treatment of Cancer VERNALIS ( R & D) LTD. (GB) 2009-07-16 US disclosed
EP-2004648-A1 PURINE COMPOUNDS AS HSP90 PROTEIN INHIBITORS FOR THE TREATMENT OF CANCER Vernalis (R&D) Limited (GB) 2008-12-24 EP disclosed
WO-2007034185-A1 PURINE COMPOUNDS AS HSP90 PROTEIN INHIBITORS FOR THE TREATMENT OF CANCER VERNALIS (R & D) LTD. (GB) 2007-03-29 WO disclosed
WO-2007034185-A1 PURINE COMPOUNDS AS HSP90 PROTEIN INHIBITORS FOR THE TREATMENT OF CANCER VERNALIS (R & D) LTD. (GB) 2007-03-29 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 (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-20090181989-A1 Purine Compunds as HSP90 Protein Inhibitors for the Treatment of Cancer HSP90AA1, HSP90AB1, HSP90AB2P L3MBTL1 2469/4885GRM4 4541/4885IDO1 3569/4885

“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.