SCHEMBL17274100

SCHEMBL17274100

c1ccc2c(c1)nc1nc(N3CCCCC3)ccn12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.44
NPSR1 Q6W5P4 1/20 0.44
KDM4E B2RXH2 5/20 0.42
L3MBTL1 Q9Y468 4/20 0.42
GAA P10253 2/20 0.42
ACHE P22303 2/20 0.42
MAPT P10636 2/20 0.42
TDP1 Q9NUW8 2/20 0.42
MAPK1 P28482 2/20 0.42
TSHR P16473 1/20 0.42
CASP1 P29466 1/20 0.42
CASP7 P55210 1/20 0.42
GFER P55789 1/20 0.42
HSD17B10 Q99714 1/20 0.42
MAOB P27338 4/20 0.42
HTR1A P08908 1/20 0.41
HTR2C P28335 1/20 0.41
ATM Q13315 3/20 0.41
HTR3E A5X5Y0 2/20 0.40
HTR3B O95264 2/20 0.40

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
SCHEMBL21477134 0.85 HTR3A (0.58) ALDH1A1KDM4EHTR1AHTR2CHTR3E
SCHEMBL12403043 0.85 RAD51 (0.52) ALDH1A1KDM4EGAAMAPTMAPK1
SCHEMBL20128548 0.85 HTR3A (0.54) ALDH1A1KDM4ETDP1MAPK1HSD17B10
SCHEMBL22907166 0.84 ALDH1A1 (0.44) ALDH1A1NPSR1KDM4EMAPTCASP7
SCHEMBL2164798 0.84 PDE10A (0.39) ALDH1A1NPSR1KDM4EMAPTTSHR
SCHEMBL29773821 0.84 ALDH1A1 (0.44) ALDH1A1NPSR1KDM4EMAPTCASP7
SCHEMBL22906768 0.83 TP53 (0.36) ALDH1A1KDM4EGAAACHEHTR3E
SCHEMBL12403016 0.83 TSHR (0.46) ALDH1A1NPSR1KDM4EL3MBTL1MAPT
SCHEMBL20128579 0.83 MAPK8 (0.40) ALDH1A1NPSR1KDM4EMAOBHTR1A
SCHEMBL12403706 0.83 HTR3E (0.37) ALDH1A1NPSR1KDM4EMAPTHTR1A

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 21 patents — showing the first 20. 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-20230218782-A1 IMAGING METHODS USING DEUTERATED COMPOUNDS GENENTECH, INC. (US) 2023-07-13 US disclosed
US-20230218782-A1 IMAGING METHODS USING DEUTERATED COMPOUNDS GENENTECH, INC. (US) 2023-07-13 US disclosed
US-20230183209-A1 CEREBLON LIGANDS AND BIFUNCTIONAL COMPOUNDS COMPRISING THE SAME ARVINAS OPERATIONS, INC. (US) 2023-06-15 US disclosed
US-20230183209-A1 CEREBLON LIGANDS AND BIFUNCTIONAL COMPOUNDS COMPRISING THE SAME ARVINAS OPERATIONS, INC. (US) 2023-06-15 US disclosed
WO-2021011913-A1 TAU-PROTEIN TARGETING COMPOUNDS AND ASSOCIATED METHODS OF USE ARVINAS OPERATIONS, INC. (US) 2021-01-21 WO disclosed
US-20200297875-A1 DEUTERATED COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2020-09-24 US disclosed
US-10675367-B2 Deuterated compounds and uses thereof GENENTECH INC. (US) 2020-06-09 US disclosed
US-20200155689-A1 CEREBLON LIGANDS AND BIFUNCTIONAL COMPOUNDS COMPRISING THE SAME ARVINAS OPERATIONS, INC. 2020-05-21 US disclosed
WO-2019199816-A1 CEREBLON LIGANDS AND BIFUNCTIONAL COMPOUNDS COMPRISING THE SAME ARVINAS OPERATIONS, INC. (US) 2019-10-17 WO disclosed
US-20190201561-A1 DEUTERATED COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2019-07-04 US disclosed
WO-2018144649-A1 CEREBLON LIGANDS AND BIFUNCTIONAL COMPOUNDS COMPRISING THE SAME Arvinas, Inc. (US) 2018-08-09 WO disclosed
US-20180215731-A1 CEREBLON LIGANDS AND BIFUNCTIONAL COMPOUNDS COMPRISING THE SAME ARVINAS OPERATIONS, INC. 2018-08-02 US disclosed
US-20180215731-A1 CEREBLON LIGANDS AND BIFUNCTIONAL COMPOUNDS COMPRISING THE SAME ARVINAS OPERATIONS, INC. 2018-08-02 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
US-20160250358-A1 DEUTERATED COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2016-09-01 US disclosed
WO-2015173225-A1 DEUTERATED HETEROCYCLIC COMPOUNDS AND THEIR USE AS IMAGING AGENTS F. HOFFMANN-LA ROCHE AG (CH) 2015-11-19 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 (10 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-20230183209-A1 CEREBLON LIGANDS AND BIFUNCTIONAL COMPOUNDS COMPRISING THE SAME CRBN, CBL, MDM2 ALDH1A1 3671/4885NPSR1 4221/4885KDM4E 1613/4885
US-11912699-B2 Tau-protein targeting compounds and associated MAPT, VHL, CRBN ALDH1A1 3804/4885NPSR1 4460/4885KDM4E 1112/4885
US-20200297875-A1 DEUTERATED COMPOUNDS AND USES THEREOF SLC10A1, AVPR2, SLC9B2 ALDH1A1 1363/4885NPSR1 287/4885KDM4E 2907/4885
US-20180125821-A1 TAU-PROTEIN TARGETING PROTACS AND ASSOCIATED METHODS OF USE CRBN, VHL, UBQLN2 ALDH1A1 4249/4885NPSR1 4358/4885KDM4E 1212/4885
US-20190201561-A1 DEUTERATED COMPOUNDS AND USES THEREOF SLC10A1, AVPR2, SLC9B2 ALDH1A1 1363/4885NPSR1 287/4885KDM4E 2907/4885
US-20160250358-A1 DEUTERATED COMPOUNDS AND USES THEREOF SLC10A1, AVPR2, SLC9B2 ALDH1A1 1363/4885NPSR1 287/4885KDM4E 2907/4885
US-20200155689-A1 CEREBLON LIGANDS AND BIFUNCTIONAL COMPOUNDS COMPRISING THE SAME CRBN, CBL, MDM2 ALDH1A1 3671/4885NPSR1 4221/4885KDM4E 1613/4885
US-20180215731-A1 CEREBLON LIGANDS AND BIFUNCTIONAL COMPOUNDS COMPRISING THE SAME CRBN, CBL, MDM2 ALDH1A1 3671/4885NPSR1 4221/4885KDM4E 1613/4885
US-10675367-B2 Deuterated compounds and uses thereof SLC10A1, AVPR2, SLC9B2 ALDH1A1 1363/4885NPSR1 287/4885KDM4E 2907/4885
US-20230218782-A1 IMAGING METHODS USING DEUTERATED COMPOUNDS SLC10A1, SLC9B2, RXFP1 ALDH1A1 1909/4885NPSR1 218/4885KDM4E 2894/4885

“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.