SCHEMBL2227781

SCHEMBL2227781

CC(C)(C)OC(=O)Nc1cc(N)ccc1N

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
AAK1 Q2M2I8 3/20 0.48
HDAC1 Q13547 10/20 0.42
HDAC2 Q92769 10/20 0.42
HDAC3 O15379 7/20 0.42
RXFP1 Q9HBX9 1/20 0.40
MAP4K4 O95819 1/20 0.40
GAA P10253 1/20 0.39
MAPT P10636 1/20 0.39
MAPK1 P28482 1/20 0.39
NR1H2 P55055 1/20 0.39

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
SCHEMBL3789925 0.88 HDAC2 (0.51) AAK1HDAC1HDAC2HDAC3MAP4K4
SCHEMBL15160030 0.87 GAA (0.52) AAK1RXFP1MAP4K4GAAMAPT
SCHEMBL29741562 0.87 HPGD (0.49) AAK1HDAC1HDAC2HDAC3
SCHEMBL3407965 0.87 HPGD (0.49) AAK1HDAC1HDAC2HDAC3
SCHEMBL13606210 0.86 HDAC1 (0.43) HDAC1RXFP1MAP4K4GAANR1H2
SCHEMBL20057682 0.86 AAK1 (0.47) AAK1HDAC1HDAC2HDAC3RXFP1
SCHEMBL19935638 0.86 KCNQ4 (0.40) AAK1RXFP1MAP4K4GAAMAPT
SCHEMBL14691487 0.86 LMNA (0.43) AAK1RXFP1MAP4K4MAPTMAPK1
SCHEMBL7955810 0.84 AAK1 (0.45) AAK1HDAC1HDAC2HDAC3GAA
SCHEMBL3791592 0.84 HDAC2 (0.51) AAK1HDAC1HDAC2HDAC3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11981780-B2 Polymeric gel and preparation method therefor, and article comprising same INSTITUTE FOR BASIC SCIENCE (KR) 2024-05-14 US disclosed
WO-2022177151-A1 NITRIC OXIDE-SENSITIVE HYDROGEL 포항공과대학교 산학협력단 2022-08-25 WO disclosed
US-11384204-B2 Varnish for photo alignment film and liquid crystal display device JAPAN DISPLAY INC. (JP) 2022-07-12 US disclosed
US-11351168-B1 2,4-disubstituted pyrimidines useful as kinase inhibitors CELGENE CAR LLC (BM) 2022-06-07 US disclosed
CN-108047142-B Heteroaryl compounds and uses thereof 西建卡尔有限责任公司 2021-08-03 CN disclosed
US-20210155755-A1 VARNISH FOR PHOTO ALIGNMENT FILM AND LIQUID CRYSTAL DISPLAY DEVICE JAPAN DISPLAY INC. (JP) 2021-05-27 US disclosed
US-10968392-B2 Liquid crystal aligning agent for photoalignment, liquid crystal alignment film and liquid crystal display device using it, and diamine and polymer JNC CORPORATION (JP) 2021-04-06 US disclosed
US-10947345-B2 Varnish for photo alignment film and liquid crystal display device JAPAN DISPLAY INC. (JP) 2021-03-16 US disclosed
US-10828300-B2 Substituted 2,4-diaminopyrimidines as kinase inhibitors CELGENE CAR LLC (BM) 2020-11-10 US disclosed
US-10596172-B2 2,4-disubstituted pyrimidines useful as kinase inhibitors CELGENE CAR LLC (BM) 2020-03-24 US disclosed
US-20130072469-A1 HETEROARYL COMPOUNDS AND USES THEREOF CELGENE AVILOMICS RESEARCH, INC. (US) 2013-03-21 US disclosed
US-20130065879-A1 HETEROARYL COMPOUNDS AND USES THEREOF CELGENE AVILOMICS RESEARCH, INC. (US) 2013-03-14 US disclosed
US-20130065899-A1 HETEROARYL COMPOUNDS AND USES THEREOF CELGENE AVILOMICS RESEARCH, INC. (US) 2013-03-14 US disclosed
US-8338439-B2 2,4-disubstituted pyrimidines useful as kinase inhibitors CELGENE AVILOMICS RESEARCH, INC. (US) 2012-12-25 US disclosed
EP-2519235-A1 HETEROARYL COMPOUNDS AND USES THEREOF Avila Therapeutics, Inc. (US) 2012-11-07 EP disclosed
EP-2361248-A1 HETEROARYL COMPOUNDS AND USES THEREOF Avila Therapeutics, Inc. (US) 2011-08-31 EP disclosed
WO-2011090760-A1 HETEROARYL COMPOUNDS AND USES THEREOF AVILA THERAPEUTICS, INC. (US) 2011-07-28 WO disclosed
US-20100249092-A1 HETEROARYL COMPOUNDS AND USES THEREOF AVILA THERAPEUTICS, INC. (US) 2010-09-30 US disclosed
US-20100029610-A1 Heteroaryl Compounds and Uses Thereof AVILA THERAPEUTICS, INC. (US) 2010-02-04 US disclosed
WO-2009158571-A1 HETEROARYL COMPOUNDS AND USES THEREOF AVILA THERAPEUTICS AND USES THEREOF (US) 2009-12-30 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 (9 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-20100029610-A1 Heteroaryl Compounds and Uses Thereof ABCG2, CYP3A43, CYP3A5 AAK1 4713/4885HDAC1 2071/4885HDAC2 1013/4885
US-10968392-B2 Liquid crystal aligning agent for photoalignment, liquid crystal alignment film and liquid crystal display device using it, and diamine and polymer DDT, DCLRE1A, DVL1 AAK1 190/4885HDAC1 4780/4885HDAC2 4781/4885
US-20100249092-A1 HETEROARYL COMPOUNDS AND USES THEREOF ABCG2, CYP3A43, CYP3A5 AAK1 4713/4885HDAC1 2071/4885HDAC2 1013/4885
US-11351168-B1 2,4-disubstituted pyrimidines useful as kinase inhibitors DCK, CDK2, DTYMK AAK1 210/4885HDAC1 1653/4885HDAC2 1206/4885
US-20130065879-A1 HETEROARYL COMPOUNDS AND USES THEREOF ABCG2, CYP3A43, CYP3A5 AAK1 4713/4885HDAC1 2071/4885HDAC2 1013/4885
US-20130072469-A1 HETEROARYL COMPOUNDS AND USES THEREOF ABCG2, CYP3A43, CYP3A5 AAK1 4713/4885HDAC1 2071/4885HDAC2 1013/4885
US-10828300-B2 Substituted 2,4-diaminopyrimidines as kinase inhibitors ABL1, DCK, ERBB2 AAK1 254/4885HDAC1 1215/4885HDAC2 975/4885
US-20130065899-A1 HETEROARYL COMPOUNDS AND USES THEREOF ABCG2, CYP3A43, CYP3A5 AAK1 4713/4885HDAC1 2071/4885HDAC2 1013/4885
US-10596172-B2 2,4-disubstituted pyrimidines useful as kinase inhibitors DCK, CDK2, DTYMK AAK1 210/4885HDAC1 1653/4885HDAC2 1206/4885

“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.