SCHEMBL20128994

SCHEMBL20128994

Cn1c2ccncc2c2ccc(-c3ccc(OCC#CCOCCCCOCCCCO)nc3)cc21

nearest known ligand 0.34

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 4/20 0.34
PDE6A P16499 3/20 0.34
ATM Q13315 11/20 0.33
METAP2 P50579 1/20 0.33
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
MTOR P42345 4/20 0.31
PIK3CA P42336 4/20 0.31
ATR Q13535 2/20 0.31
TLR8 Q9NR97 1/20 0.31
PIK3CD O00329 1/20 0.30
PIK3CB P42338 1/20 0.30
PI4KA P42356 1/20 0.30
PIK3CG P48736 1/20 0.30
PI4KB Q9UBF8 1/20 0.30

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
SCHEMBL20129067 0.92 METAP2 (0.37) PDE5APDE6AATMMETAP2NPC1
SCHEMBL27097805 0.91 METAP2 (0.37) PDE5APDE6AATMMETAP2NPC1
SCHEMBL20128973 0.91 METAP2 (0.37) PDE5APDE6AATMMETAP2NPC1
SCHEMBL20129125 0.86 ATM (0.39) PDE5APDE6AATMMETAP2NPC1
SCHEMBL20128995 0.84 ATM (0.35) ATMNPC1RAB9AMTORPIK3CA
SCHEMBL30479974 0.83 PIK3CA (0.38) PDE5APDE6AATMMETAP2NPC1
SCHEMBL20423270 0.83 PIK3CA (0.38) PDE5APDE6AATMMETAP2NPC1
SCHEMBL20129094 0.83 PIK3CA (0.38) PDE5APDE6AATMMETAP2NPC1
SCHEMBL20129059 0.80 TDO2 (0.33) PDE5APDE6AATMMTORPIK3CA
SCHEMBL27098122 0.80 FAAH (0.35) ATMMTORPIK3CAATR

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 3 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
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 PDE5A 4397/4885PDE6A 4173/4885ATM 711/4885
US-20180125821-A1 TAU-PROTEIN TARGETING PROTACS AND ASSOCIATED METHODS OF USE CRBN, VHL, UBQLN2 PDE5A 4425/4885PDE6A 4305/4885ATM 959/4885

“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.