SCHEMBL17540978

SCHEMBL17540978

c1cncc(COc2ccc3occc3c2)c1

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 2/20 0.57
MAOA P21397 3/20 0.47
F9 P00740 1/20 0.47
F10 P00742 1/20 0.47
DYRK1A Q13627 1/20 0.47
MAOB P27338 2/20 0.47
PRKDC P78527 3/20 0.47
IKBKB O14920 1/20 0.46
MAPK1 P28482 2/20 0.45
CSF1R P07333 1/20 0.45
GPR132 Q9UNW8 4/20 0.44
CMKLR2 P46091 1/20 0.44
CMKLR1 Q99788 1/20 0.44

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
SCHEMBL5988383 0.83 MRGPRX4 (0.69) MRGPRX4MAOAMAOB
SCHEMBL28244529 0.80 ALOX5 (0.67) MRGPRX4MAOAF9F10DYRK1A
SCHEMBL17541128 0.79 F9 (0.46) MRGPRX4MAOAF9F10DYRK1A
SCHEMBL31094212 0.78 F9 (0.52) MRGPRX4MAOAF9F10DYRK1A
SCHEMBL7832381 0.77 CYP11B2 (0.57) MAOAF9F10DYRK1AMAOB
SCHEMBL28048524 0.77 MAPK1 (0.64) MAOAF9F10DYRK1AIKBKB
SCHEMBL17544341 0.76 TSHR (0.64) MAPK1
SCHEMBL17541029 0.76 PRKDC (0.48) MRGPRX4MAOAF9F10DYRK1A
SCHEMBL30402834 0.76 TSHR (0.64) MAPK1
SCHEMBL28011530 0.76 MAPK1 (0.64) F9F10MAOBMAPK1GPR132

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-11851446-B2 Probes for imaging Huntingtin protein CHDI FOUNDATION, INC. (US) 2023-12-26 US disclosed
EP-3197277-B1 PROBES FOR IMAGING HUNTINGTIN PROTEIN CHDI FOUNDATION INC (US) 2021-12-22 EP disclosed
EP-3197277-B1 PROBES FOR IMAGING HUNTINGTIN PROTEIN CHDI FOUNDATION INC (US) 2021-12-22 EP disclosed
US-20210380608-A1 PROBES FOR IMAGING HUNTINGTIN PROTEIN CHDI FOUNDATION, INC. 2021-12-09 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
US-20170283439-A1 PROBES FOR IMAGING HUNTINGTIN PROTEIN CCHDI Foundation Inc. (US) 2017-10-05 US 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
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 MRGPRX4 3360/4885MAOA 4414/4885F9 3370/4885
US-20210380608-A1 PROBES FOR IMAGING HUNTINGTIN PROTEIN HTT, HYPK, HSPBP1 MRGPRX4 3360/4885MAOA 4414/4885F9 3370/4885
US-20170283439-A1 PROBES FOR IMAGING HUNTINGTIN PROTEIN HTT, HYPK, HSPBP1 MRGPRX4 3360/4885MAOA 4414/4885F9 3370/4885

“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.