SCHEMBL20128928

SCHEMBL20128928

Cn1c2ccncc2c2ccc(-c3ccc(O[C@H]4C[C@H](OC5CCNCC5)C4)nc3)cc21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDO2 P48775 3/20 0.41
ATM Q13315 2/20 0.39
ATR Q13535 2/20 0.39
PIK3CA P42336 1/20 0.39
MTOR P42345 1/20 0.39
PAICS P22234 2/20 0.36
CDK4 P11802 1/20 0.34
MKNK1 Q9BUB5 1/20 0.34
MKNK2 Q9HBH9 1/20 0.34
MAPT P10636 1/20 0.33
NTRK1 P04629 1/20 0.33
KHK P50053 1/20 0.33
HRH3 Q9Y5N1 1/20 0.33
IKBKB O14920 1/20 0.33
MCHR1 Q99705 1/20 0.32
NPC1 O15118 1/20 0.32
POLB P06746 1/20 0.32
GAA P10253 1/20 0.32
RAB9A P51151 1/20 0.32
RXFP1 Q9HBX9 1/20 0.32

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
SCHEMBL29547248 1.00 TDO2 (0.41) TDO2ATMATRPIK3CAMTOR
SCHEMBL20120391 1.00 TDO2 (0.41) TDO2ATMATRPIK3CAMTOR
SCHEMBL29547284 1.00 TDO2 (0.41) TDO2ATMATRPIK3CAMTOR
Hydrochloric Acid SCHEMBL27146420 0.99 TDO2 (0.41) TDO2ATMATRPIK3CAMTOR
Hydrochloric Acid SCHEMBL29547386 0.99 TDO2 (0.41) TDO2ATMATRPIK3CAMTOR
Hydrochloric Acid SCHEMBL27146421 0.99 TDO2 (0.41) TDO2ATMATRPIK3CAMTOR
SCHEMBL20133115 0.93 TDO2 (0.48) TDO2ATMATRPIK3CAMTOR
SCHEMBL29547763 0.93 TDO2 (0.48) TDO2ATMATRPIK3CAMTOR
SCHEMBL29773844 0.93 TDO2 (0.48) TDO2ATMATRPIK3CAMTOR
SCHEMBL29548355 0.91 TDO2 (0.36) TDO2ATMATRPIK3CAMTOR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11912699-B2 Tau-protein targeting compounds and associated ARVINAS OPERATIONS, INC. (US) 2024-02-27 US disclosed
US-11912699-B2 Tau-protein targeting compounds and associated ARVINAS OPERATIONS, INC. (US) 2024-02-27 US disclosed
WO-2018102067-A2 TAU-PROTEIN TARGETING PROTACS AND ASSOCIATED METHODS OF USE Arvinas, Inc. (US) 2018-06-07 WO disclosed
US-20180125821-A1 TAU-PROTEIN TARGETING PROTACS AND ASSOCIATED METHODS OF USE ARVINAS OPERATIONS, INC. 2018-05-10 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 (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-11912699-B2 Tau-protein targeting compounds and associated MAPT, VHL, CRBN TDO2 3503/4885ATM 711/4885ATR 1368/4885
US-20180125821-A1 TAU-PROTEIN TARGETING PROTACS AND ASSOCIATED METHODS OF USE CRBN, VHL, UBQLN2 TDO2 3395/4885ATM 959/4885ATR 1538/4885

“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.