SCHEMBL4092867

SCHEMBL4092867

COc1cc(C(=O)NC2CCNCC2)ccc1Sc1nc(N)nc(-c2cc(OCC#N)c(Cl)cc2Cl)n1

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PTK2 Q05397 7/20 0.40
SUV39H2 Q9H5I1 4/20 0.40
HTR4 Q13639 1/20 0.40
HSP90AB1 P08238 2/20 0.39
BRD4 O60885 1/20 0.38
PLK1 P53350 1/20 0.38
BRDT Q58F21 1/20 0.38
LRRK2 Q5S007 1/20 0.37
HPGDS O60760 1/20 0.36
DDR1 Q08345 2/20 0.36
UTS2R Q9UKP6 1/20 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
SCHEMBL13927534 0.91 HTR4 (0.42) PTK2SUV39H2HTR4HSP90AB1BRD4
SCHEMBL4095634 0.91 PTK2 (0.42) PTK2BRD4PLK1BRDT
SCHEMBL4094726 0.85 LRRK2 (0.41) SUV39H2HSP90AB1LRRK2
SCHEMBL13928051 0.82 BRD4 (0.43) PTK2BRD4PLK1BRDTLRRK2
SCHEMBL4096792 0.81 HSP90AB1 (0.42) SUV39H2HSP90AB1LRRK2
SCHEMBL4092353 0.80 SRC (0.38) HSP90AB1LRRK2
SCHEMBL4102760 0.78 HSP90AB1 (0.41) HSP90AB1
SCHEMBL15101684 0.77 LRRK2 (0.47) SUV39H2LRRK2
SCHEMBL14642199 0.76 LRRK2 (0.43) SUV39H2LRRK2
SCHEMBL4095546 0.75 HSP90AB1 (0.38) SUV39H2HSP90AB1LRRK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2036895-B9 HSP90 INHIBITOR CHUGAI PHARMACEUTICAL CO LTD (JP) 2013-07-10 EP claimed
EP-2036895-B1 HSP90 INHIBITOR CHUGAI PHARMACEUTICAL CO LTD (JP) 2013-01-16 EP claimed
US-20090247524-A1 HSP90 Inhibitor CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2009-10-01 US claimed
EP-2036895-A1 HSP90 INHIBITOR CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2009-03-18 EP claimed
EP-2036895-B9 HSP90 INHIBITOR CHUGAI PHARMACEUTICAL CO LTD (JP) 2013-07-10 EP disclosed
EP-2036895-B1 HSP90 INHIBITOR CHUGAI PHARMACEUTICAL CO LTD (JP) 2013-01-16 EP disclosed
US-8193351-B2 HSP90 inhibitor CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2012-06-05 US disclosed
US-8193351-B2 HSP90 inhibitor CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2012-06-05 US disclosed
US-8193351-B2 HSP90 inhibitor CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2012-06-05 US disclosed
US-20090247524-A1 HSP90 Inhibitor CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2009-10-01 US disclosed
US-20090247524-A1 HSP90 Inhibitor CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2009-10-01 US disclosed
US-20090247524-A1 HSP90 Inhibitor CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2009-10-01 US disclosed
EP-2036895-A1 HSP90 INHIBITOR CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2009-03-18 EP 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-20090247524-A1 HSP90 Inhibitor HSP90AB1, HSP90B1, HSP90AA1 PTK2 2572/4885SUV39H2 3790/4885HTR4 4093/4885

“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.