SCHEMBL1395265

SCHEMBL1395265

Cc1cnc(Cn2cnc3c(Cl)nc(N)nc32)c(C)c1O

nearest known ligand 0.80

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HSP90AB1 P08238 18/20 0.80
HSP90AA1 P07900 18/20 0.80
HSP90B1 P14625 1/20 0.72
TRAP1 Q12931 1/20 0.72
HDAC4 P56524 1/20 0.49
HDAC1 Q13547 1/20 0.49
HDAC6 Q9UBN7 1/20 0.49

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
SCHEMBL3396095 0.89 HSP90AB1 (1.00) HSP90AB1HSP90AA1HSP90B1TRAP1
SCHEMBL1395344 0.88 HSP90AA1 (1.00) HSP90AB1HSP90AA1HSP90B1TRAP1
SCHEMBL3391765 0.88 HSP90AB1 (1.00) HSP90AB1HSP90AA1HSP90B1TRAP1
SCHEMBL1394785 0.86 HSP90AB1 (1.00) HSP90AB1HSP90AA1HSP90B1TRAP1
SCHEMBL3393864 0.86 HSP90AB1 (1.00) HSP90AB1HSP90AA1HSP90B1TRAP1
Biib021 SCHEMBL29351570 0.84 HSP90AA1 (1.00) HSP90AB1HSP90AA1HSP90B1TRAP1
Biib021 SCHEMBL29394202 0.84 HSP90AA1 (1.00) HSP90AB1HSP90AA1HSP90B1TRAP1
Biib021 SCHEMBL1791028 0.84 HSP90AA1 (1.00) HSP90AB1HSP90AA1HSP90B1TRAP1
Biib021 SCHEMBL29409214 0.84 HSP90AA1 (1.00) HSP90AB1HSP90AA1HSP90B1TRAP1
SCHEMBL3392728 0.84 HSP90AB1 (1.00) HSP90AB1HSP90AA1HSP90B1TRAP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160082015-A1 METHODS, COMPOSITIONS AND KITS FOR PROMOTING MOTOR NEURON SURVIVAL AND TREATING AND DIAGNOSING NEURODEGENERATIVE DISORDERS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2016-03-24 US disclosed
WO-2014172616-A2 METHODS, COMPOSITIONS AND KITS FOR PROMOTING MOTOR NEURON SURVIVAL AND TREATING AND DIAGNOSING NEURODEGENERATIVE DISORDERS PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2014-10-23 WO disclosed
US-20120010178-A1 METHODS AND COMPOUNDS FOR TREATMENT OF NEURODEGENERATIVE DISORDERS PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2012-01-12 US disclosed
US-20110077198-A1 COMPOSITIONS AND METHODS FOR INHIBITING THE ACTIVATION OF DSRNA-DEPENDENT PROTEIN KINASE AND TUMOR GROWTH INHIBITION NESTEC S.A. (CH) 2011-03-31 US disclosed
CN-101906106-A New heterogeneous ring compound as the HSP90-inhibitor CONFORMA THERAPEUTICS CORP 2010-12-08 CN disclosed
CN-101868235-A Compositions and methods for inhibiting dsRNA-dependent protein kinase activation and inhibiting tumor growth NESTEC SA 2010-10-20 CN disclosed
EP-2222297-A1 COMPOSITIONS AND METHODS FOR INHIBITING THE ACTIVATION OF DSRNA-DEPENDENT PROTEIN KINASE AND TUMOR GROWTH INHIBITION Nestec S.A. (CH) 2010-09-01 EP disclosed
CN-1882589-B Novel heterocyclic compounds as HSP 90-inhibitors CONFORMA THERAPEUTICS CORP 2010-06-09 CN disclosed
WO-2010048273-A2 METHODS AND COMPOUNDS FOR TREATMENT OF NEURODEGENERATIVE DISORDERS PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2010-04-29 WO disclosed
EP-2145888-A1 Deazapurine derivatives as HSP90-Inhibitors Conforma Therapeutics Corporation (US) 2010-01-20 EP disclosed
WO-2009070378-A1 COMPOSITIONS AND METHODS FOR INHIBITING THE ACTIVATION OF DSRNA-DEPENDENT PROTEIN KINASE AND TUMOR GROWTH INHIBITION NESTEC S.A. (CH) 2009-06-04 WO disclosed
WO-2008021210-A2 METHODS AND COMPOSITIONS FOR THE TREATMENT OF NEURODEGENERATIVE DISORDERS COMBINATORX, INCORPORATED (US) 2008-02-21 WO disclosed
US-20080044390-A1 Methods and compositions for the treatment of neurodegenerative disorders CHDI, INCORPORATED 2008-02-21 US disclosed
US-20070185064-A1 2-Aminopurine Analogs Having HSP90-Inhibiting Activity CONFORMA THERAPEUTICS CORPORATION (US) 2007-08-09 US disclosed
CN-1882589-A Novel heterocyclic compounds as HSP 90-inhibitors CONFORMA THERAPEUTICS CORP (US) 2006-12-20 CN 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 (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-20160082015-A1 METHODS, COMPOSITIONS AND KITS FOR PROMOTING MOTOR NEURON SURVIVAL AND TREATING AND DIAGNOSING NEURODEGENERATIVE DISORDERS SMN1; SMN2, SOD1, NEFM HSP90AB1 1115/4885HSP90AA1 1110/4885HSP90B1 2376/4885
US-20050113340-A1 2-Aminopurine analogs having HSP90-inhibiting activity HSP90AB2P, HSP90AB1, HSP90AA1 HSP90AB1 2/4885HSP90AA1 3/4885HSP90B1 4/4885
US-20120010178-A1 METHODS AND COMPOUNDS FOR TREATMENT OF NEURODEGENERATIVE DISORDERS SMN1; SMN2, CLN6, SNCA HSP90AB1 288/4885HSP90AA1 672/4885HSP90B1 378/4885
US-20080044390-A1 Methods and compositions for the treatment of neurodegenerative disorders HTT, SNCA, NLN HSP90AB1 225/4885HSP90AA1 358/4885HSP90B1 635/4885
US-20070185064-A1 2-Aminopurine Analogs Having HSP90-Inhibiting Activity HSP90AB2P, HSP90AB1, HSP90AA1 HSP90AB1 2/4885HSP90AA1 3/4885HSP90B1 4/4885

“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.