SCHEMBL10149976

SCHEMBL10149976

CCCCn1c(Cc2cc(C)c(OC)c(OC)c2)nc2c(N)ncnc21

nearest known ligand 0.89

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 14/20 0.89
HSP90AB1 P08238 14/20 0.89
ERBB2 P04626 6/20 0.89
ADORA2A P29274 1/20 0.49
ADORA2B P29275 1/20 0.49
ADORA1 P30542 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
SCHEMBL2604975 0.94 HSP90AA1 (1.00) HSP90AA1HSP90AB1ERBB2ADORA2AADORA2B
SCHEMBL1964163 0.89 HSP90AA1 (0.86) HSP90AA1HSP90AB1ERBB2ADORA2AADORA2B
SCHEMBL14044861 0.87 HSP90AA1 (0.83) HSP90AA1HSP90AB1ERBB2ADORA2AADORA2B
SCHEMBL4321160 0.82 HSP90AA1 (0.75) HSP90AA1HSP90AB1ERBB2ADORA2AADORA2B
SCHEMBL4849461 0.82 HSP90AA1 (0.75) HSP90AA1HSP90AB1ERBB2ADORA2AADORA2B
SCHEMBL17897956 0.82 HSP90AA1 (0.60) HSP90AA1HSP90AB1ERBB2ADORA2AADORA2B
SCHEMBL17897955 0.81 HSP90AA1 (0.61) HSP90AA1HSP90AB1ERBB2ADORA2AADORA2B
SCHEMBL4848666 0.80 HSP90AA1 (0.74) HSP90AA1HSP90AB1ERBB2
SCHEMBL4855740 0.80 HSP90AA1 (0.74) HSP90AA1HSP90AB1ERBB2ADORA2AADORA2B
SCHEMBL4850868 0.80 HSP90AA1 (0.74) HSP90AA1HSP90AB1ERBB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180164289-A1 PROTEIN DEGRADATION INDUCING TAG AND USAGE THEREOF TOKYO UNIVERSITY OF SCIENCE FOUNDATION (JP) 2018-06-14 US disclosed
US-20140135290-A1 MACROCYCLIC PRODRUG COMPOUNDS USEFUL AS THERAPEUTICS ONCOSYNERGY, INC. (US) 2014-05-15 US disclosed
US-8450305-B2 Macrocyclic compounds useful as inhibitors of kinases and HSP90 UNIVERSITE DE STRASBOURG (FR) 2013-05-28 US disclosed
US-20120077775-A1 MACROCYCLIC COMPOUNDS USEFUL AS INHIBITORS OF KINASES AND HSP90 LE CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2012-03-29 US disclosed
US-20110190237-A1 Macrocyclic Prodrug Compounds Useful as Therapeutics NEXGENIX PHARMACEUTICALS (US) 2011-08-04 US 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 (4 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-20120077775-A1 MACROCYCLIC COMPOUNDS USEFUL AS INHIBITORS OF KINASES AND HSP90 HSP90AB1, HSP90AA1, HSP90AB2P HSP90AA1 2/4885HSP90AB1 1/4885ERBB2 915/4885
US-20180164289-A1 PROTEIN DEGRADATION INDUCING TAG AND USAGE THEREOF SENP8, SENP6, SENP7 HSP90AA1 302/4885HSP90AB1 319/4885ERBB2 2587/4885
US-20110190237-A1 Macrocyclic Prodrug Compounds Useful as Therapeutics ADCYAP1R1, CYP19A1, THOP1 HSP90AA1 4055/4885HSP90AB1 3953/4885ERBB2 982/4885
US-20140135290-A1 MACROCYCLIC PRODRUG COMPOUNDS USEFUL AS THERAPEUTICS ADCYAP1R1, CYP19A1, THOP1 HSP90AA1 4055/4885HSP90AB1 3953/4885ERBB2 982/4885

“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.