SCHEMBL4097995

SCHEMBL4097995

N#CCOc1cc(-c2nc(N)nc(Sc3nc4ccccc4s3)n2)c(Cl)cc1Cl

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AB1 P08238 2/20 0.40
POLB P06746 3/20 0.35
ALDH1A1 P00352 2/20 0.35
HPGD P15428 2/20 0.35
USP2 O75604 1/20 0.35
ALOX12 P18054 1/20 0.35
RAB9A P51151 1/20 0.35
CYP1A2 P05177 3/20 0.35
CYP2D6 P10635 3/20 0.35
CYP3A4 P08684 2/20 0.35
CYP2C19 P33261 2/20 0.35
CYP2C9 P11712 1/20 0.35
STAT6 P42226 1/20 0.35
CTSD P07339 6/20 0.34
PTGS1 P23219 1/20 0.34
PTGS2 P35354 1/20 0.34
HSP90AA1 P07900 2/20 0.34
MAPT P10636 2/20 0.33
EGFR P00533 1/20 0.33
TP53 P04637 1/20 0.33

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
SCHEMBL14642136 0.89 CYP1A2 (0.40) POLBALDH1A1HPGDUSP2RAB9A
SCHEMBL4086685 0.84 HSP90AB1 (0.41) HSP90AB1POLBHSP90AA1EGFRADORA3
SCHEMBL4093890 0.81 HSP90AB1 (0.41) HSP90AB1POLBALDH1A1RAB9AHSP90AA1
SCHEMBL4086591 0.81 HSP90AB1 (0.45) HSP90AB1POLBCYP2C19HSP90AA1L3MBTL1
SCHEMBL4092776 0.80 HSP90AB1 (0.36) HSP90AB1ALDH1A1HPGDRAB9AHSP90AA1
SCHEMBL4102760 0.79 HSP90AB1 (0.41) HSP90AB1POLBHSP90AA1MAPTEGFR
SCHEMBL4086112 0.78 HSP90AA1 (0.43) HSP90AB1POLBALDH1A1HPGDUSP2
SCHEMBL4097120 0.74 HSP90AB1 (0.40) HSP90AB1ALDH1A1HSP90AA1EGFR
SCHEMBL4085614 0.72 HSP90AB1 (0.41) HSP90AB1POLBHSP90AA1
SCHEMBL4097465 0.72 HSP90AB1 (0.40) HSP90AB1POLBHSP90AA1

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 14 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-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 HSP90AB1 1/4885POLB 2395/4885ALDH1A1 1619/4885

“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.