SCHEMBL6307447

SCHEMBL6307447

CSc1nc(N)nc(-c2ccc(C(F)(F)F)cc2)n1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 3/20 0.64
HSP90AB1 P08238 2/20 0.64
HRH4 Q9H3N8 1/20 0.52
NPC1 O15118 3/20 0.51
RAB9A P51151 3/20 0.51
KDM4E B2RXH2 2/20 0.50
POLB P06746 1/20 0.50
ATM Q13315 1/20 0.50
HEXA P06865 1/20 0.48
HEXB P07686 1/20 0.48
ADORA2A P29274 3/20 0.46
ADORA1 P30542 3/20 0.46
TPH1 P17752 2/20 0.43
DPP4 P27487 1/20 0.42
KIF11 P52732 1/20 0.42
CYP1A2 P05177 2/20 0.41
CYP2C19 P33261 2/20 0.41
BCHE P06276 1/20 0.41
ACHE P22303 1/20 0.41
LIPE Q05469 1/20 0.41

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
SCHEMBL6314171 0.86 NPC1 (0.72) HSP90AA1HSP90AB1NPC1RAB9AKDM4E
SCHEMBL27638920 0.83 NPC1 (0.66) HRH4NPC1RAB9AKDM4EPOLB
SCHEMBL6309038 0.82 HSP90AA1 (0.61) HSP90AA1HSP90AB1RAB9AKDM4EADORA2A
SCHEMBL6310578 0.82 HSP90AA1 (0.70) HSP90AA1HSP90AB1HRH4NPC1RAB9A
SCHEMBL6306895 0.81 HSP90AA1 (0.59) HSP90AA1HSP90AB1NPC1RAB9AADORA2A
SCHEMBL6309967 0.80 HSP90AA1 (0.72) HSP90AA1HSP90AB1HRH4NPC1RAB9A
SCHEMBL4093530 0.78 HSP90AA1 (1.00) HSP90AA1HSP90AB1HRH4NPC1RAB9A
SCHEMBL6314388 0.76 HSP90AA1 (0.66) HSP90AA1HSP90AB1HRH4NPC1RAB9A
SCHEMBL6316030 0.76 HSP90AA1 (0.66) HSP90AA1HSP90AB1NPC1KDM4EHEXA
SCHEMBL30862210 0.73 KIF11 (0.58) HRH4DPP4KIF11LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9895356-B2 Methods and compositions for treating anxiety HYDRA BIOSCIENCES, INC. (US) 2018-02-20 US disclosed
US-9895356-B2 Methods and compositions for treating anxiety HYDRA BIOSCIENCES, INC. (US) 2018-02-20 US disclosed
US-20160220539-A1 METHODS AND COMPOSITIONS FOR TREATING ANXIETY HYDRA BIOSCIENCES, INC. 2016-08-04 US disclosed
US-20160220539-A1 METHODS AND COMPOSITIONS FOR TREATING ANXIETY HYDRA BIOSCIENCES, INC. 2016-08-04 US disclosed
US-9139573-B2 Methods and compositions for treating anxiety HYDRA BIOSCIENCES, INC. (US) 2015-09-22 US disclosed
US-9139573-B2 Methods and compositions for treating anxiety HYDRA BIOSCIENCES, INC. (US) 2015-09-22 US disclosed
US-8633233-B2 Methods and compositions for treating anxiety HYDRA BIOSCIENCES, INC. (US) 2014-01-21 US disclosed
US-8633233-B2 Methods and compositions for treating anxiety HYDRA BIOSCIENCES, INC. (US) 2014-01-21 US disclosed
US-20110319417-A1 METHODS AND COMPOSITIONS FOR TREATING ANXIETY HYDRA BIOSCIENCES, INC. 2011-12-29 US disclosed
US-20110319417-A1 METHODS AND COMPOSITIONS FOR TREATING ANXIETY HYDRA BIOSCIENCES, INC. 2011-12-29 US disclosed
US-6919339-B2 ABCA-1 elevating compounds CV THEAPEUTICS, INC. (US) 2005-07-19 US disclosed
US-20020128266-A1 ABCA-1 elevating compounds CV THERAPEUTICS, INC. 2002-09-12 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 (3 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-20110319417-A1 METHODS AND COMPOSITIONS FOR TREATING ANXIETY HTR5A, HTR2C, TRPC5 HSP90AA1 1702/4885HSP90AB1 2178/4885HRH4 311/4885
US-20160220539-A1 METHODS AND COMPOSITIONS FOR TREATING ANXIETY HTR5A, HTR2C, TRPC5 HSP90AA1 1702/4885HSP90AB1 2178/4885HRH4 311/4885
US-20020128266-A1 ABCA-1 elevating compounds ABCD3, ABCE1, ABCB4 HSP90AA1 1676/4885HSP90AB1 1191/4885HRH4 4305/4885

“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.