SCHEMBL2733722

SCHEMBL2733722

CN(C)C(=O)c1ccc(C(C)(C)C)cn1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.42
EPHX2 P34913 1/20 0.41
NR1H4 Q96RI1 1/20 0.41
PIK3CD O00329 1/20 0.41
PIK3CA P42336 1/20 0.41
PIK3CB P42338 1/20 0.41
PI4KA P42356 1/20 0.41
PIK3CG P48736 1/20 0.41
PI4KB Q9UBF8 1/20 0.41
MAPT P10636 2/20 0.38
DYRK1A Q13627 1/20 0.38
GRM5 P41594 4/20 0.37
GABRA1 P14867 1/20 0.37
GABRG2 P18507 1/20 0.37
GABRB3 P28472 1/20 0.37
GABRA5 P31644 1/20 0.37
GABRA3 P34903 1/20 0.37
GABRA2 P47869 1/20 0.37
GABRA4 P48169 1/20 0.37
GABRA6 Q16445 1/20 0.37

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
SCHEMBL31380329 0.83 MLYCD (0.43) KMT2AGRM5GABRA1GABRG2GABRB3
SCHEMBL13676427 0.81 HSP90AA1 (0.51) KMT2AMAPTGRM5SMN1; SMN2NPC1
SCHEMBL25094798 0.81 ESRRG (0.41) KMT2ARAB9ATRPV1
SCHEMBL3203433 0.79 P4HTM (0.53) KMT2AMAPTSMN1; SMN2NFKB1
SCHEMBL9906446 0.79 KMT2A (0.46) KMT2AEPHX2NR1H4MAPTGABRA1
SCHEMBL25972065 0.79 KMT2A (0.35) KMT2AGABRA1GABRG2GABRB3GABRA5
SCHEMBL10034528 0.78 KMT2A (0.44) KMT2AMAPTGABRA1GABRG2GABRB3
SCHEMBL3486437 0.78 KMT2A (0.44) KMT2AMAPTGABRA1GABRG2GABRB3
SCHEMBL2678960 0.78 KMT2A (0.68) KMT2AEPHX2NR1H4MAPTGABRA1
SCHEMBL25094703 0.77 SCN9A (0.37) KMT2AGRM5RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240238296-A1 METHODS OF REGULATING BCL11A EXPRESSION AND TREATMENT OF BCL11A-MEDIATED DISORDERS FULCRUM THERAPEUTICS INC (US) 2024-07-18 US disclosed
US-20240238296-A1 METHODS OF REGULATING BCL11A EXPRESSION AND TREATMENT OF BCL11A-MEDIATED DISORDERS FULCRUM THERAPEUTICS INC (US) 2024-07-18 US disclosed
US-20240216377-A1 HETEROCYCLYLAMINES AS PI3K INHIBITORS INCYTE CORPORATION 2024-07-04 US disclosed
US-11819505-B2 Heterocyclylamines as PI3K inhibitors INCYTE CORPORATION (US) 2023-11-21 US disclosed
US-11819505-B2 Heterocyclylamines as PI3K inhibitors INCYTE CORPORATION (US) 2023-11-21 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-11648254-B2 Substituted pyrido[2,3-d]pyrimidines as inhibitors of Ras pathway signaling KUMQUAT BIOSCIENCES INC. (US) 2023-05-16 US disclosed
US-11648254-B2 Substituted pyrido[2,3-d]pyrimidines as inhibitors of Ras pathway signaling KUMQUAT BIOSCIENCES INC. (US) 2023-05-16 US disclosed
US-20230121440-A1 HETEROCYCLYLAMINES AS PI3K INHIBITORS INCYTE HOLDINGS CORPORATION 2023-04-20 US disclosed
US-20100125073-A1 BENZOFURAN AND BENZOTHIOPHENE DERIVATIVES USEFUL IN THE TREATMENT OF CANCERS OF THE CENTRAL NERVOUS SYSTEM BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-05-20 US disclosed
US-20100029614-A1 SPIROCYCLIC HETEROCYCLIC DERIVATIVES AND METHODS OF THEIR USE ADOLOR CORPORATION (US) 2010-02-04 US disclosed
US-7598261-B2 Spirocyclic heterocyclic derivatives and methods of their use ADOLOR CORPORATION (US) 2009-10-06 US disclosed
US-7585888-B2 Benzofuran and benzothiophene derivatives useful in the treatment of hyper-proliferative disorders BAYER PHARMACEUTICALS CORPORATION (US) 2009-09-08 US disclosed
US-20090054514-A1 BENZOFURAN AND BENZOTHIOPHENE DERIVATIVES USEFUL IN THE TREATMENT OF HYPER-PROLIFERATIVE DISORDERS ZHANG CHENGZHI 2009-02-26 US disclosed
US-7384947-B2 Fused tricyclic heterocycles useful for treating hyper-proliferative disorders BAYER HEALTHCARE LLC (US) 2008-06-10 US disclosed
US-20080119452-A1 METHODS FOR ENHANCING COGNITIVE FUNCTION CALIXA THERAPEUTICS, INC. 2008-05-22 US disclosed
US-7351735-B2 Benzofuran and benzothiophene derivatives useful in the treatment of hyper-proliferative disorders BAYER PHARMACEUTICALS CORPORATION (US) 2008-04-01 US disclosed
US-20070213330-A1 Anticancer agents; antiproliferative agents METHYLGENE INC. (CA) 2007-09-13 US disclosed
US-7253204-B2 Antiproliferative agents METHYLGENE INC. (CA) 2007-08-07 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 (11 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-20230121440-A1 HETEROCYCLYLAMINES AS PI3K INHIBITORS PIK3CA, PIK3CD, PIK3CB KMT2A 757/4885EPHX2 2805/4885NR1H4 2612/4885
US-11648254-B2 Substituted pyrido[2,3-d]pyrimidines as inhibitors of Ras pathway signaling KRAS, NRAS, BRAF KMT2A 4174/4885EPHX2 1868/4885NR1H4 3219/4885
US-20240216377-A1 HETEROCYCLYLAMINES AS PI3K INHIBITORS PIK3CA, PIK3CD, PIK3CB KMT2A 757/4885EPHX2 2805/4885NR1H4 2612/4885
US-20070213330-A1 Anticancer agents; antiproliferative agents HDAC1, HDAC11, HDAC5 KMT2A 68/4885EPHX2 3444/4885NR1H4 2496/4885
US-20240238296-A1 METHODS OF REGULATING BCL11A EXPRESSION AND TREATMENT OF BCL11A-MEDIATED DISORDERS BCLAF1, EED, BCL3 KMT2A 84/4885EPHX2 597/4885NR1H4 1426/4885
US-11819505-B2 Heterocyclylamines as PI3K inhibitors PIK3CA, PIK3CD, PIK3CB KMT2A 757/4885EPHX2 2805/4885NR1H4 2612/4885
US-20100125073-A1 BENZOFURAN AND BENZOTHIOPHENE DERIVATIVES USEFUL IN THE TREATMENT OF CANCERS OF THE CENTRAL NERVOUS SYSTEM BCOR, BRDT, TPMT KMT2A 816/4885EPHX2 2660/4885NR1H4 2122/4885
US-20080119452-A1 METHODS FOR ENHANCING COGNITIVE FUNCTION CHAT, GRIN2C, GRIN2A KMT2A 2128/4885EPHX2 359/4885NR1H4 745/4885
US-20090054514-A1 BENZOFURAN AND BENZOTHIOPHENE DERIVATIVES USEFUL IN THE TREATMENT OF HYPER-PROLIFERATIVE DISORDERS ETV6, MKI67, PAH KMT2A 1353/4885EPHX2 3302/4885NR1H4 1237/4885
US-20100029614-A1 SPIROCYCLIC HETEROCYCLIC DERIVATIVES AND METHODS OF THEIR USE OPRK1, OPRD1, OPRL1 KMT2A 2918/4885EPHX2 868/4885NR1H4 81/4885
US-11725012-B2 Imidazo[1,5-a]pyrazine derivatives as PI3K δ inhibitors PIK3CD, PIK3R5, PIK3CA KMT2A 2686/4885EPHX2 4285/4885NR1H4 1833/4885

“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.