SCHEMBL10145134

SCHEMBL10145134

COC(=O)c1cccc(N2CCC(=O)CC2)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.54
TP53 P04637 1/20 0.51
MAPT P10636 2/20 0.51
PKM P14618 1/20 0.51
ALOX15 P16050 1/20 0.51
NPC1 O15118 1/20 0.50
HPGD P15428 4/20 0.49
PMM2 O15305 1/20 0.49
MPI P34949 1/20 0.49
RAB9A P51151 1/20 0.49
PHOSPHO1 Q8TCT1 1/20 0.49
ALDH1A1 P00352 7/20 0.49
KDM4E B2RXH2 3/20 0.49
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
HSD17B10 Q99714 1/20 0.49
HTR7 P34969 1/20 0.48
MRGPRX4 Q96LA9 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
CYP1A2 P05177 1/20 0.47

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
SCHEMBL5743752 0.86 ALDH1A1 (0.66) GAATP53MAPTPKMALOX15
SCHEMBL4203044 0.85 ALDH1A1 (0.64) GAATP53MAPTPKMALOX15
SCHEMBL14562466 0.85 GAA (0.57) GAATP53MAPTPKMALOX15
SCHEMBL29641479 0.85 GAA (0.57) GAATP53MAPTPKMALOX15
SCHEMBL1490676 0.84 PLOD2 (0.60) GAATP53NPC1HPGDALDH1A1
SCHEMBL4250883 0.82 KMO (0.68) GAATP53MAPTPKMALOX15
SCHEMBL2876503 0.82 ADRB1 (0.59) GAATP53MAPTPKMALOX15
SCHEMBL14696856 0.82 ALDH1A1 (0.71) GAATP53MAPTPKMALOX15
SCHEMBL28167772 0.81 KMT2A (0.73) GAAMAPTALOX15HPGDALDH1A1
SCHEMBL1359510 0.81 ALDH1A1 (0.65) GAAMAPTALOX15NPC1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107108610-B Novel tetrahydropyridopyrimidine and tetrahydropyridopyridine compounds for the treatment and prophylaxis of hepatitis B virus infections 豪夫迈·罗氏有限公司 2019-06-04 CN disclosed
US-20180036317-A1 METHOD OF TREATING CONDITIONS WITH KINASE INHIBITORS ALLERGAN INC (US) 2018-02-08 US disclosed
US-20180036317-A1 METHOD OF TREATING CONDITIONS WITH KINASE INHIBITORS ALLERGAN INC (US) 2018-02-08 US disclosed
US-20180036317-A1 METHOD OF TREATING CONDITIONS WITH KINASE INHIBITORS ALLERGAN INC (US) 2018-02-08 US disclosed
CN-107624113-A Tetrahydropyridopyrimidines and tetrahydropyridopyridines as inhibitors of HBsAg (HBV surface antigen) and HBV DNA production for the treatment of hepatitis B virus infection 豪夫迈·罗氏有限公司 2018-01-23 CN disclosed
US-9820989-B2 Method of treating conditions with kinase inhibitors ALLERGAN, INC. (US) 2017-11-21 US disclosed
US-9820989-B2 Method of treating conditions with kinase inhibitors ALLERGAN, INC. (US) 2017-11-21 US disclosed
US-9820989-B2 Method of treating conditions with kinase inhibitors ALLERGAN, INC. (US) 2017-11-21 US disclosed
CN-107108610-A Novel tetrahydropyridopyrimidine and tetrahydropyridopyridine compounds for the treatment and prophylaxis of hepatitis B virus infections 豪夫迈·罗氏有限公司 2017-08-29 CN disclosed
US-20170143728-A1 METHOD OF TREATING CONDITIONS WITH KINASE INHIBITORS ALLERGAN, INC. 2017-05-25 US disclosed
US-20130237537-A1 METHOD OF TREATING CONDITIIONS WITH KINASE INHIBITORS ALLERGAN, INC. (US) 2013-09-12 US disclosed
US-20130237538-A1 KINASE INHIBITORS ALLERGAN, INC. (US) 2013-09-12 US disclosed
US-20130237538-A1 KINASE INHIBITORS ALLERGAN, INC. (US) 2013-09-12 US disclosed
US-20130237537-A1 METHOD OF TREATING CONDITIIONS WITH KINASE INHIBITORS ALLERGAN, INC. (US) 2013-09-12 US disclosed
US-20130237537-A1 METHOD OF TREATING CONDITIIONS WITH KINASE INHIBITORS ALLERGAN, INC. (US) 2013-09-12 US disclosed
US-20130237538-A1 KINASE INHIBITORS ALLERGAN, INC. (US) 2013-09-12 US disclosed
US-20120183498-A1 COMPOUNDS, COMPOSITIONS AND METHODS FOR TREATING OR PREVENTING PNEUMOVIRUS INFECTION AND ASSOCIATED DISEASES NITZ THEODORE J (US) 2012-07-19 US disclosed
US-20120183498-A1 COMPOUNDS, COMPOSITIONS AND METHODS FOR TREATING OR PREVENTING PNEUMOVIRUS INFECTION AND ASSOCIATED DISEASES NITZ THEODORE J (US) 2012-07-19 US disclosed
US-8202896-B2 Compounds, compositions and methods for treating or preventing pneumovirus infection and associated diseases MICRODOSE THERAPEUTX, INC. (US) 2012-06-19 US disclosed
US-8202896-B2 Compounds, compositions and methods for treating or preventing pneumovirus infection and associated diseases MICRODOSE THERAPEUTX, INC. (US) 2012-06-19 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 (5 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-20180036317-A1 METHOD OF TREATING CONDITIONS WITH KINASE INHIBITORS MAP3K1, MAPK1, MAP3K2 GAA 1198/4885TP53 2392/4885MAPT 2008/4885
US-20120183498-A1 COMPOUNDS, COMPOSITIONS AND METHODS FOR TREATING OR PREVENTING PNEUMOVIRUS INFECTION AND ASSOCIATED DISEASES TTPA, HAVCR2, ZC3HAV1 GAA 1572/4885TP53 770/4885MAPT 2383/4885
US-20170143728-A1 METHOD OF TREATING CONDITIONS WITH KINASE INHIBITORS MAP3K1, MAPK1, MAP3K2 GAA 1198/4885TP53 2392/4885MAPT 2008/4885
US-20130237537-A1 METHOD OF TREATING CONDITIIONS WITH KINASE INHIBITORS CDK5, MAP3K1, ALDH1A2 GAA 508/4885TP53 1778/4885MAPT 2168/4885
US-20130237538-A1 KINASE INHIBITORS MAP3K1, MAP3K6, MAP3K2 GAA 2053/4885TP53 376/4885MAPT 3468/4885

“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.