SCHEMBL5495291

SCHEMBL5495291

CCOC(=O)c1cc2cc(Br)ccc2cn1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
GABRG2 P18507 8/20 0.48
GABRB3 P28472 8/20 0.48
GABRA5 P31644 8/20 0.48
GABRA2 P47869 8/20 0.48
GABRA1 P14867 7/20 0.48
GABRA3 P34903 7/20 0.48
GABRA4 P48169 7/20 0.48
GABRA6 Q16445 7/20 0.48
GABRB2 P47870 7/20 0.48
GABRP O00591 6/20 0.48
GABRD O14764 6/20 0.48
GABRB1 P18505 6/20 0.48
GABRE P78334 6/20 0.48
GABRG1 Q8N1C3 6/20 0.48
GABRG3 Q99928 6/20 0.48
GABRQ Q9UN88 6/20 0.48
CYP1A2 P05177 1/20 0.47
NPC1 O15118 2/20 0.46

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
SCHEMBL31271664 1.00 ALDH1A1 (0.53) ALDH1A1SMN1; SMN2GABRG2GABRB3GABRA5
SCHEMBL4538233 0.94 ALDH1A1 (0.53) ALDH1A1SMN1; SMN2GABRG2GABRB3GABRA5
SCHEMBL31165703 0.84 LCK (0.55) ALDH1A1GABRG2GABRB3GABRA5GABRA2
SCHEMBL21885738 0.83 ALOX15 (0.50) ALDH1A1SMN1; SMN2GABRG2GABRB3GABRA5
SCHEMBL2201127 0.82 GABRA1 (0.59) ALDH1A1SMN1; SMN2GABRG2GABRB3GABRA5
SCHEMBL30712292 0.82 GABRA1 (0.59) ALDH1A1SMN1; SMN2GABRG2GABRB3GABRA5
SCHEMBL30712301 0.82 GABRA1 (0.59) ALDH1A1SMN1; SMN2GABRG2GABRB3GABRA5
SCHEMBL1808295 0.79 ALDH1A1 (0.55) ALDH1A1SMN1; SMN2GABRG2GABRB3GABRA5
SCHEMBL2001591 0.78 ALDH1A1 (0.65) ALDH1A1SMN1; SMN2GABRA2GABRB2CYP1A2
SCHEMBL31649767 0.78 GABRA2 (0.48) ALDH1A1SMN1; SMN2GABRG2GABRB3GABRA5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4547658-A1 WEE1 DEGRADING COMPOUNDS AND USES THEREOF Bristol-Myers Squibb Company (US) 2025-05-07 EP disclosed
CN-119325469-A WEE1 degrading compounds and uses thereof 百时美施贵宝公司 2025-01-17 CN disclosed
US-20240067632-A1 WEE1 Degrading Compounds and Uses Thereof BRISTOL-MYERS SQUIBB COMPANY (US) 2024-02-29 US disclosed
WO-2024006881-A1 WEE1 DEGRADING COMPOUNDS AND USES THEREOF BRISTOL-MYERS SQUIBB COMPANY (US) 2024-01-04 WO disclosed
CN-111196804-B TGF-beta R1 inhibitors and uses thereof 南京圣和药业股份有限公司 2023-11-07 CN disclosed
US-20220324835-A1 INHIBITORS OF CBL-B AND METHODS OF USE THEREOF NURIX THERAPEUTICS, INC. 2022-10-13 US disclosed
EP-3743063-A1 INHIBITORS OF CBL-B AND METHODS OF USE THEREOF Nurix Therapeutics, Inc. (US) 2020-12-02 EP disclosed
CN-111196804-A TGF- β R1 inhibitor and application thereof 南京圣和药业股份有限公司 2020-05-26 CN disclosed
EP-1836174-B2 ARYL NITROGEN-CONTAINING BICYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS AMGEN INC (US) 2019-10-02 EP disclosed
WO-2019148005-A1 INHIBITORS OF CBL-B AND METHODS OF USE THEREOF NURIX THERAPEUTICS, INC. (US) 2019-08-01 WO disclosed
EP-1836174-B1 ARYL NITROGEN-CONTAINING BICYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS AMGEN INC (US) 2013-02-27 EP disclosed
EP-1836174-A2 ARYL NITROGEN-CONTAINING BICYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS AMGEN INC. (US) 2007-09-26 EP disclosed
US-20070054916-A1 Aryl nitrogen-containing bicyclic compounds and methods of use AMGEN INC. 2007-03-08 US disclosed
WO-2006039718-A2 ARYL NITROGEN-CONTAINING BICYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS AMGEN INC (US) 2006-04-13 WO disclosed
US-5470999-A Cyclohexene and bicyclic aromatic substituted ethyne compounds having retinoid-like biological activity ALLERGAN, INC. (US) 1995-11-28 US disclosed
US-5451605-A Treating skin disorders ALLERGAN, INC. (US) 1995-09-19 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 (3 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-20220324835-A1 INHIBITORS OF CBL-B AND METHODS OF USE THEREOF CBLB, CBL, CBLC ALDH1A1 4576/4885SMN1; SMN2 2723/4885GABRG2 1505/4885
US-20240067632-A1 WEE1 Degrading Compounds and Uses Thereof WEE1, WEE2, PPME1 ALDH1A1 3122/4885SMN1; SMN2 3575/4885GABRG2 4748/4885
US-20070054916-A1 Aryl nitrogen-containing bicyclic compounds and methods of use MAP3K1, MAP3K5, MAP3K2 ALDH1A1 1563/4885SMN1; SMN2 4067/4885GABRG2 3982/4885

“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.