SCHEMBL20128916

SCHEMBL20128916

Cn1c2ccncc2c2ccc(-c3cnc(O[C@H]4C[C@H](OC5CCNCC5)C4)c(C(F)(F)F)c3)cc21

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CTSS P25774 9/20 0.37
CTSK P43235 1/20 0.36
GRIN1 Q05586 4/20 0.33
GRIN2B Q13224 4/20 0.33
METAP2 P50579 1/20 0.33
MCHR1 Q99705 2/20 0.32
CCNK O75909 2/20 0.32
CDK12 Q9NYV4 2/20 0.32
TYRO3 Q06418 1/20 0.32
CDK7 P50613 1/20 0.32
CCNH P51946 1/20 0.32
MNAT1 P51948 1/20 0.32
CCNT1 O60563 1/20 0.32
CCNE1 P24864 1/20 0.32
CDK2 P24941 1/20 0.32
CDK9 P50750 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
SCHEMBL20129074 0.85 GRIN2B (0.35) GRIN1GRIN2B
SCHEMBL27098753 0.85 GRIN2B (0.36) CTSSGRIN1GRIN2B
SCHEMBL29547248 0.85 TDO2 (0.41) MCHR1
SCHEMBL29547284 0.85 TDO2 (0.41) MCHR1
SCHEMBL20128928 0.85 TDO2 (0.41) MCHR1
SCHEMBL20120391 0.85 TDO2 (0.41) MCHR1
SCHEMBL20128917 0.84 PIK3CD (0.39)
Hydrochloric Acid SCHEMBL29547386 0.84 TDO2 (0.41) MCHR1
Hydrochloric Acid SCHEMBL27146421 0.84 TDO2 (0.41) MCHR1
Hydrochloric Acid SCHEMBL27146420 0.84 TDO2 (0.41) MCHR1

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-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
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 CTSS 3204/4885CTSK 3042/4885GRIN1 1742/4885
US-20180125821-A1 TAU-PROTEIN TARGETING PROTACS AND ASSOCIATED METHODS OF USE CRBN, VHL, UBQLN2 CTSS 2761/4885CTSK 2765/4885GRIN1 1946/4885

“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.