SCHEMBL29680837

SCHEMBL29680837

COc1cnc(COc2ccc3c(c2)nc(-c2cccnc2)n3C)cn1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 5/20 0.45
CYP11B2 P19099 5/20 0.45
RAD51 Q06609 1/20 0.43
NAMPT P43490 1/20 0.40
ATM Q13315 1/20 0.40
KIT P10721 1/20 0.39
MAPT P10636 4/20 0.39
PDE10A Q9Y233 2/20 0.39
BCHE P06276 1/20 0.39
ALOX5AP P20292 2/20 0.38
POLB P06746 1/20 0.38
CYP19A1 P11511 2/20 0.38
G6PD P11413 1/20 0.38
PDE2A O00408 1/20 0.37
CYP17A1 P05093 1/20 0.37

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
SCHEMBL17544140 1.00 CYP11B1 (0.45) CYP11B1CYP11B2RAD51NAMPTATM
SCHEMBL29680779 0.92 CYP11B1 (0.53) CYP11B1CYP11B2MAPTPDE10ABCHE
SCHEMBL17544332 0.92 CYP11B1 (0.53) CYP11B1CYP11B2MAPTPDE10ABCHE
SCHEMBL10175817 0.82 RAD51 (0.60) CYP11B1CYP11B2RAD51NAMPTATM
SCHEMBL17544206 0.77 KDM4E (0.50) CYP11B1CYP11B2KITMAPTCYP19A1
SCHEMBL17543999 0.77 TSHR (0.55) MAPTPOLB
SCHEMBL30402163 0.77 KDM4E (0.50) CYP11B1CYP11B2KITMAPTCYP19A1
SCHEMBL29680788 0.77 TSHR (0.55) MAPTPOLB
SCHEMBL19428531 0.75 RAB9A (0.50) CYP11B1KITMAPTPDE10APOLB
SCHEMBL10176218 0.70 CYP11B2 (0.60) CYP11B1CYP11B2NAMPTATMKIT

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-12258355-B2 Probes for imaging huntingtin protein CHDI FOUNDATION, INC. (US) 2025-03-25 US disclosed
CN-116655618-A Probes for imaging huntingtin CHDI基金会股份有限公司 2023-08-29 CN disclosed
US-20230212190-A1 PROBES FOR IMAGING HUNTINGTIN PROTEIN CHDI FOUNDATION, INC. 2023-07-06 US disclosed
CN-107108534-B Probes for imaging huntingtin CHDI基金会股份有限公司 2023-05-09 CN disclosed
EP-4006016-A2 PROBES FOR IMAGING HUNTINGTIN PROTEIN CHDI Foundation, Inc. (US) 2022-06-01 EP 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 (2 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-20230212190-A1 PROBES FOR IMAGING HUNTINGTIN PROTEIN HTT, HYPK, HSPBP1 CYP11B1 4318/4885CYP11B2 4538/4885RAD51 1641/4885
US-12258355-B2 Probes for imaging huntingtin protein HTT, HYPK, HSPBP1 CYP11B1 4318/4885CYP11B2 4538/4885RAD51 1641/4885

“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.