SCHEMBL17540979

SCHEMBL17540979

COc1ccc(COc2cn[c]cn2)nc1

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 1/20 0.38
PDE10A Q9Y233 1/20 0.38
SYK P43405 2/20 0.38
AURKB Q96GD4 2/20 0.38
INCENP Q9NQS7 2/20 0.38
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
MBOAT4 Q96T53 1/20 0.36
CSF1R P07333 1/20 0.35
NAAA Q02083 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
GRM5 P41594 1/20 0.34
MCHR1 Q99705 4/20 0.34
CYP3A4 P08684 1/20 0.34
KCNH2 Q12809 1/20 0.34
FFAR1 O14842 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
SCHEMBL17544088 0.76 APP (0.47) SLC6A3NPC1RAB9ASMN1; SMN2MEN1
SCHEMBL29095777 0.76 SYK (0.51) SLC6A3SYKAURKBINCENPNPC1
SCHEMBL19432655 0.75 MBOAT4 (0.43) SLC6A3PDE10ASYKAURKBINCENP
SCHEMBL17543967 0.74 SLC6A3 (0.46) SLC6A3PDE10ASYKAURKBINCENP
SCHEMBL21132339 0.74 SYK (0.49) SYKAURKBINCENPNPC1SMN1; SMN2
SCHEMBL30682101 0.73 GABRA5 (0.40) SLC6A3PDE10ASYKAURKBINCENP
SCHEMBL38539 0.70
SCHEMBL18326358 0.70 APLNR (0.40) SLC6A3SYKAURKBINCENPMBOAT4
SCHEMBL23561723 0.69 MBOAT4 (0.39) SLC6A3SYKAURKBINCENPMBOAT4
SCHEMBL20373271 0.69 SYK (0.42) SLC6A3PDE10ASYKAURKBINCENP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170283439-A1 PROBES FOR IMAGING HUNTINGTIN PROTEIN CCHDI Foundation Inc. (US) 2017-10-05 US claimed
EP-3197277-A1 PROBES FOR IMAGING HUNTINGTIN PROTEIN CHDI Foundation, Inc. (US) 2017-08-02 EP claimed
WO-2016033440-A1 PROBES FOR IMAGING HUNTINGTIN PROTEIN CHDI FOUNDATION, INC. (US) 2016-03-03 WO claimed
US-11851446-B2 Probes for imaging Huntingtin protein CHDI FOUNDATION, INC. (US) 2023-12-26 US disclosed
US-20210380608-A1 PROBES FOR IMAGING HUNTINGTIN PROTEIN CHDI FOUNDATION, INC. 2021-12-09 US disclosed
CN-107105667-B Probes for imaging huntingtin CHDI基金会股份有限公司 2021-08-17 CN disclosed
US-20170283439-A1 PROBES FOR IMAGING HUNTINGTIN PROTEIN CCHDI Foundation Inc. (US) 2017-10-05 US disclosed
EP-3197277-A1 PROBES FOR IMAGING HUNTINGTIN PROTEIN CHDI Foundation, Inc. (US) 2017-08-02 EP disclosed
WO-2016033440-A1 PROBES FOR IMAGING HUNTINGTIN PROTEIN CHDI FOUNDATION, INC. (US) 2016-03-03 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 (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-11851446-B2 Probes for imaging Huntingtin protein HTT, HYPK, HSPBP1 SLC6A3 608/4885PDE10A 3407/4885SYK 4507/4885
US-20210380608-A1 PROBES FOR IMAGING HUNTINGTIN PROTEIN HTT, HYPK, HSPBP1 SLC6A3 608/4885PDE10A 3407/4885SYK 4507/4885
US-20170283439-A1 PROBES FOR IMAGING HUNTINGTIN PROTEIN HTT, HYPK, HSPBP1 SLC6A3 608/4885PDE10A 3407/4885SYK 4507/4885

“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.