SCHEMBL420154

SCHEMBL420154

CCc1cc(-c2nnc(O)n2-c2ccc3c(c2)c(C)cn3C)c(O)cc1OP(=O)(O)O

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 9/20 0.40
HSP90AB1 P08238 9/20 0.40
HTR2C P28335 1/20 0.32
HTR2B P41595 1/20 0.32
TUBB4A P04350 1/20 0.30
TUBB P07437 1/20 0.30
TUBA3C P0DPH7 1/20 0.30
TUBA1B P68363 1/20 0.30
TUBA4A P68366 1/20 0.30
TUBB4B P68371 1/20 0.30
TUBB3 Q13509 1/20 0.30
TUBB2A Q13885 1/20 0.30
TUBB8 Q3ZCM7 1/20 0.30
TUBA3E Q6PEY2 1/20 0.30
TUBA1A Q71U36 1/20 0.30
TUBA1C Q9BQE3 1/20 0.30
TUBB6 Q9BUF5 1/20 0.30
TUBB2B Q9BVA1 1/20 0.30
TUBB1 Q9H4B7 1/20 0.30

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
SCHEMBL421467 0.85 HSP90AA1 (0.39) HSP90AA1HSP90AB1
SCHEMBL27787363 0.85 HSP90AA1 (0.33) HSP90AA1HSP90AB1TUBB4ATUBBTUBA3C
SCHEMBL421221 0.85 HSP90AA1 (0.57) HSP90AA1HSP90AB1
SCHEMBL15087182 0.78 HSP90AA1 (0.34) HSP90AA1HSP90AB1
SCHEMBL419020 0.76 HSP90AA1 (0.38) HSP90AA1HSP90AB1
SCHEMBL15472990 0.76 HSP90AA1 (0.38) HSP90AA1HSP90AB1
SCHEMBL419166 0.74 HSP90AA1 (0.53) HSP90AA1HSP90AB1
SCHEMBL14328376 0.73 HSP90AA1 (0.44) HSP90AA1HSP90AB1
SCHEMBL1305571 0.72 HSP90AA1 (0.33) HSP90AA1HSP90AB1
SCHEMBL421219 0.72 HSP90AA1 (0.48) HSP90AA1HSP90AB1

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 150 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170340652-A1 COMBINATION THERAPY OF HSP90 INHIBITORY COMPOUNDS WITH CHK INHIBITORS SYNTA PHARMACEUTICALS CORP. 2017-11-30 US claimed
US-20150099721-A1 TREATING CANCER WITH HSP90 INHIBITORY COMPOUNDS SYNTA PHARMACEUTICALS CORP. (US) 2015-04-09 US claimed
EP-2849751-A1 TREATING CANCER WITH HSP90 INHIBITORY COMPOUNDS Synta Pharmaceuticals Corp. (US) 2015-03-25 EP claimed
US-20140194388-A1 COMBINATION THERAPY OF HSP90 INHIBITORY COMPOUNDS WITH CHK INHIBITORS SYNTA PHARMACEUTICALS CORP. (US) 2014-07-10 US claimed
US-8742133-B2 Triazole compounds that modulate HSP90 activity SYNTA PHARMACEUTICALS CORP. (US) 2014-06-03 US claimed
EP-2678014-A2 PROSTATE CANCER THERAPY WITH HSP90 INHIBITORY COMPOUNDS Synta Pharmaceuticals Corp. (US) 2014-01-01 EP claimed
EP-2663305-A1 COMBINATION THERAPY OF HSP90 INHIBITORY COMPOUNDS WITH PROTEASOME INHIBITORS Synta Pharmaceuticals Corp. (US) 2013-11-20 EP claimed
WO-2013170159-A1 TREATING CANCER WITH HSP90 INHIBITORY COMPOUNDS SYNTA PHARMACEUTICALS CORP. (US) 2013-11-14 WO claimed
EP-2648708-A2 COMBINATION FOR BREAST CANCER THERAPY WITH HSP90 INHIBITORY COMPOUNDS Synta Pharmaceuticals Corp. (US) 2013-10-16 EP claimed
EP-2616063-A1 HSP90 INHIBITORS FOR TREATING NON-SMALL CELL LUNG CANCERS IN WILD-TYPE EGFR AND/OR KRAS PATIENTS Synta Pharmaceuticals Corp. (US) 2013-07-24 EP claimed
WO-2012037072-A1 HSP90 INHIBITORS FOR TREATING NON-SMALL CELL LUNG CANCERS IN WILD-TYPE EGFR AND/OR KRAS PATIENTS SYNTA PHARMACEUTICALS CORPORATION (US) 2012-03-22 WO claimed
US-20120064175-A1 HSP90 Inhibitors for Treating Non-Small Cell Lung Cancer in Wild-Type EGFR and/or KRAS Patients SYNTA PHARMACEUTICALS CORP. 2012-03-15 US claimed
WO-2011149824-A1 CANCER THERAPY USING A COMBINATION OF A HSP90 INHIBITORY COMPOUND AND A TOPOISOMERASE II INHIBITOR SYNTA PHARMACEUTICALS CORP. (US) 2011-12-01 WO claimed
WO-2011146803-A1 METHOD OF TREATING LUNG ADENOCARCINOMA WITH HSP90 INHIBITORY COMPOUNDS SYNTA PHARMACEUTICALS CORP. (US) 2011-11-24 WO claimed
WO-2011133521-A2 CANCER THERAPY USING A COMBINATION OF A HSP90 INHIBITORY COMPOUNDS AND A VEGF INHIBITOR SYNTA PHARMACEUTICALS CORP. (US) 2011-10-27 WO claimed
WO-2011133520-A1 CANCER THERAPY USING A COMBINATION OF A HSP90 INHIBITORY COMPOUNDS AND A EGFR INHIBITOR SYNTA PHARMACEUTICALS CORP. (US) 2011-10-27 WO claimed
US-20110195094-A1 TRIAZOLE COMPOUNDS THAT MODULATE HSP90 ACTIVITY SYNTA PHARMACEUTICALS CORP. 2011-08-11 US claimed
WO-2011049946-A1 COMBINATION CANCER THERAPY WITH HSP90 INHIBITORY COMPOUNDS SYNTA PHARMACEUTICALS CORP. (US) 2011-04-28 WO claimed
EP-2193135-A1 TRIAZOLE COMPOUNDS THAT MODULATE HSP90 ACTIVITY Synta Pharmaceuticals Corp. (US) 2010-06-09 EP claimed
WO-2009023211-A1 TRIAZOLE COMPOUNDS THAT MODULATE HSP90 ACTIVITY SYNTA PHARMACEUTICALS CORP. (US) 2009-02-19 WO claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (5 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-20150099721-A1 TREATING CANCER WITH HSP90 INHIBITORY COMPOUNDS ROS1, RET, HSP90AB1 HSP90AA1 4/4885HSP90AB1 3/4885HTR2C 4269/4885
US-20110195094-A1 TRIAZOLE COMPOUNDS THAT MODULATE HSP90 ACTIVITY HSP90AB1, HSP90B1, HSP90AA1 HSP90AA1 3/4885HSP90AB1 1/4885HTR2C 3386/4885
US-20170340652-A1 COMBINATION THERAPY OF HSP90 INHIBITORY COMPOUNDS WITH CHK INHIBITORS HSP90AB1, HSP90AA1, HSP90B1 HSP90AA1 2/4885HSP90AB1 1/4885HTR2C 3006/4885
US-20140194388-A1 COMBINATION THERAPY OF HSP90 INHIBITORY COMPOUNDS WITH CHK INHIBITORS HSP90AB1, HSP90AA1, HSP90B1 HSP90AA1 2/4885HSP90AB1 1/4885HTR2C 3006/4885
US-20120064175-A1 HSP90 Inhibitors for Treating Non-Small Cell Lung Cancer in Wild-Type EGFR and/or KRAS Patients HSP90AB1, HSP90AA1, HSP90B1 HSP90AA1 2/4885HSP90AB1 1/4885HTR2C 4310/4885

“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.