SCHEMBL2678960

SCHEMBL2678960

CC(C)(C)c1ccc(C(N)=O)nc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.68
SIRT6 Q8N6T7 2/20 0.42
LRRK2 Q5S007 1/20 0.40
IKBKB O14920 1/20 0.40
KIF11 P52732 1/20 0.40
ALDH1A1 P00352 1/20 0.40
NNMT P40261 1/20 0.39
GABRA1 P14867 1/20 0.38
GABRG2 P18507 1/20 0.38
GABRB3 P28472 1/20 0.38
GABRA5 P31644 1/20 0.38
GABRA3 P34903 1/20 0.38
GABRA2 P47869 1/20 0.38
GABRA4 P48169 1/20 0.38
GABRA6 Q16445 1/20 0.38
TNF P01375 1/20 0.38
KLF5 Q13887 1/20 0.38
NOD2 Q9HC29 1/20 0.38
NOD1 Q9Y239 1/20 0.38
ADORA3 P0DMS8 1/20 0.38

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
SCHEMBL30435122 0.87 KMT2A (0.66) KMT2ASIRT6NNMTADORA3TSHR
SCHEMBL6471125 0.87 KMT2A (0.66) KMT2ASIRT6NNMTADORA3TSHR
SCHEMBL2677722 0.85 KMT2A (0.74) KMT2ASIRT6LRRK2NNMTADORA3
SCHEMBL9906446 0.82 KMT2A (0.46) KMT2AIKBKBALDH1A1GABRA1GABRG2
SCHEMBL3203433 0.82 P4HTM (0.53) KMT2AALDH1A1TSHRMAPK1SMN1; SMN2
SCHEMBL19987504 0.82 KMT2A (0.60) KMT2ASIRT6ALDH1A1NNMTADORA3
SCHEMBL19965699 0.82 KMT2A (0.60) KMT2ASIRT6ALDH1A1NNMTKIT
SCHEMBL12227503 0.81 KMT2A (0.44) KMT2AALDH1A1GABRA1GABRG2GABRB3
SCHEMBL19911113 0.81 KMT2A (0.44) KMT2AKIF11ALDH1A1GABRA1GABRG2
SCHEMBL1996711 0.81 KMT2A (1.00) KMT2ASIRT6KITFLT3MAPK1

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 31 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230357260-A1 HETEROCYCLIC COMPOUNDS, PREPARATION METHODS THEREFOR, AND METHODS OF USES THEREOF InventisBio Co., Ltd. (CN) 2023-11-09 US disclosed
US-20230357260-A1 HETEROCYCLIC COMPOUNDS, PREPARATION METHODS THEREFOR, AND METHODS OF USES THEREOF InventisBio Co., Ltd. (CN) 2023-11-09 US disclosed
US-11725012-B2 Imidazo[1,5-a]pyrazine derivatives as PI3K δ inhibitors BEIGENE, LTD. (KY) 2023-08-15 US disclosed
US-11725012-B2 Imidazo[1,5-a]pyrazine derivatives as PI3K δ inhibitors BEIGENE, LTD. (KY) 2023-08-15 US disclosed
US-11691981-B2 Heterocyclic compounds, preparation methods therefor, and methods of uses thereof InventisBio Co., Ltd. (CN) 2023-07-04 US disclosed
US-11691981-B2 Heterocyclic compounds, preparation methods therefor, and methods of uses thereof InventisBio Co., Ltd. (CN) 2023-07-04 US disclosed
US-20220098202-A1 IMIDAZO[1,5-a]PYRAZINE DERIVATIVES AS PI3K DELTA INHIBITORS BEONE MEDICINES I GMBH (CH) 2022-03-31 US disclosed
US-11136323-B2 Imidazo[1,5-a]pyrazine derivatives as PI3K δ inhibitors BEIGENE, LTD. (KY) 2021-10-05 US disclosed
US-20210017187-A1 HETEROCYCLIC COMPOUNDS, PREPARATION METHODS THEREFOR, AND METHODS OF USES THEREOF InventisBio Co., Ltd. (CN) 2021-01-21 US disclosed
US-20200276180-A1 POLYCYCLIC COMPOUND ACTING AS IDO INHIBITOR AND/OR IDO-HDAC DUAL INHIBITOR HANGZHOU INNOGATE PHARMA CO., LTD (CN) 2020-09-03 US disclosed
US-9790169-B2 IDO inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2017-10-17 US disclosed
US-9790169-B2 IDO inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2017-10-17 US disclosed
US-20170231999-A1 IDO INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2017-08-17 US disclosed
US-20170231999-A1 IDO INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2017-08-17 US disclosed
US-20160289171-A1 IDO INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2016-10-06 US disclosed
US-8173638-B2 Compounds which modulate the CB2 receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-05-08 US disclosed
WO-2010068806-A1 AMIDE DERIVATIVES AS BTK INHIBITORS IN THE TREATMENT OF ALLERGIC, AUTOIMMUNE AND INFLAMMATORY DISORDERS AS WELL AS CANCER CGI PHARMACEUTICALS, INC. (US) 2010-06-17 WO disclosed
WO-2010068810-A2 CERTAIN SUBSTITUTED AMIDES, METHOD OF MAKING, AND METHOD OF USE THEREOF CGI PHARMACEUTICALS, INC. (US) 2010-06-17 WO disclosed
US-20100009964-A1 Compounds Which Modulate The CB2 Receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-01-14 US disclosed
US-7429604-B2 Six-membered heterocycles useful as serine protease inhibitors BRISTOL MYERS SQUIBB COMPANY (US) 2008-09-30 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 (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-20100009964-A1 Compounds Which Modulate The CB2 Receptor CNR2, CNR1, OPRL1 KMT2A 3896/4885SIRT6 1876/4885LRRK2 3162/4885
US-20220098202-A1 IMIDAZO[1,5-a]PYRAZINE DERIVATIVES AS PI3K DELTA INHIBITORS PIK3CD, PIK3R5, PIK3CA KMT2A 2693/4885SIRT6 4310/4885LRRK2 1332/4885
US-20200276180-A1 POLYCYCLIC COMPOUND ACTING AS IDO INHIBITOR AND/OR IDO-HDAC DUAL INHIBITOR IDO1, HDAC1, HDAC2 KMT2A 28/4885SIRT6 269/4885LRRK2 1206/4885
US-20170231999-A1 IDO INHIBITORS IDO1, IDO2, INMT KMT2A 461/4885SIRT6 290/4885LRRK2 807/4885
US-11136323-B2 Imidazo[1,5-a]pyrazine derivatives as PI3K δ inhibitors PIK3CD, PIK3R5, PIK3CA KMT2A 2869/4885SIRT6 3977/4885LRRK2 1096/4885
US-20230357260-A1 HETEROCYCLIC COMPOUNDS, PREPARATION METHODS THEREFOR, AND METHODS OF USES THEREOF TGFB1, TGFB2, TGFBR1 KMT2A 3797/4885SIRT6 1313/4885LRRK2 910/4885
US-20160289171-A1 IDO INHIBITORS IDO1, IDO2, INMT KMT2A 461/4885SIRT6 290/4885LRRK2 807/4885
US-20210017187-A1 HETEROCYCLIC COMPOUNDS, PREPARATION METHODS THEREFOR, AND METHODS OF USES THEREOF TGFB1, TGFB2, TGFBR1 KMT2A 3797/4885SIRT6 1313/4885LRRK2 910/4885
US-11725012-B2 Imidazo[1,5-a]pyrazine derivatives as PI3K δ inhibitors PIK3CD, PIK3R5, PIK3CA KMT2A 2686/4885SIRT6 3970/4885LRRK2 998/4885
US-11691981-B2 Heterocyclic compounds, preparation methods therefor, and methods of uses thereof TGFB1, TGFB2, TGFBR1 KMT2A 3797/4885SIRT6 1313/4885LRRK2 910/4885

“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.