SCHEMBL19251497

SCHEMBL19251497

CC(C)c1cnc2ccoc2c1

nearest known ligand 0.33

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 1/20 0.33
IRAK4 Q9NWZ3 1/20 0.32
DYRK1A Q13627 2/20 0.31
CLK1 P49759 1/20 0.31
HTR2A P28223 1/20 0.31
HTR2C P28335 1/20 0.31
KDM4E B2RXH2 1/20 0.30
MEN1 O00255 1/20 0.30
NPC1 O15118 1/20 0.30
ALDH1A1 P00352 1/20 0.30
TP53 P04637 1/20 0.30
MAPT P10636 1/20 0.30
RAB9A P51151 1/20 0.30
KMT2A Q03164 1/20 0.30
HSD17B10 Q99714 1/20 0.30

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
SCHEMBL21607023 0.86 UGT2B7 (0.34) IRAK4DYRK1ACLK1
SCHEMBL23479627 0.83
SCHEMBL827713 0.75 CYP1A2 (0.44) HDAC6IRAK4DYRK1AKDM4EMEN1
SCHEMBL31168473 0.75 CYP1A2 (0.44) HDAC6IRAK4DYRK1AKDM4EMEN1
SCHEMBL22778675 0.74 HTR1B (0.39) IRAK4KDM4E
SCHEMBL12896074 0.74 ALDH1A1 (0.35) HDAC6DYRK1AKDM4EMEN1NPC1
SCHEMBL25918524 0.72 HDAC6 (0.33) HDAC6
SCHEMBL2609442 0.72 DYRK1A (0.45) DYRK1ACLK1KDM4EMEN1NPC1
SCHEMBL418936 0.71 DYRK1A (0.33) IRAK4DYRK1A
SCHEMBL457106 0.71 DYRK1A (0.38) IRAK4DYRK1AALDH1A1MAPTKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11820766-B2 Monoacylglycerol lipase modulators JANSSEN PHARMACEUTICA NV (BE) 2023-11-21 US disclosed
US-11820766-B2 Monoacylglycerol lipase modulators JANSSEN PHARMACEUTICA NV (BE) 2023-11-21 US disclosed
US-11807641-B2 MASP-2 inhibitors and methods of use OMEROS CORPORATION (US) 2023-11-07 US disclosed
US-20230295167-A1 POTENT AND SELECTIVE INHIBITORS OF HER2 DANA-FARBER CANCER INSTITUTE, INC. 2023-09-21 US disclosed
US-20230174523-A1 BENZENESULFONAMIDE DERIVATIVES AS TRAP1 MODULATORS AND USES THEREOF AMATHUS THERAPEUTICS, INC. (US) 2023-06-08 US disclosed
US-20230174523-A1 BENZENESULFONAMIDE DERIVATIVES AS TRAP1 MODULATORS AND USES THEREOF AMATHUS THERAPEUTICS, INC. (US) 2023-06-08 US disclosed
US-20230159509-A1 PYRIDINESULFONAMIDE DERIVATIVES AS TRAP1 MODULATORS AND USES THEREOF AMATHUS THERAPEUTICS, INC. (US) 2023-05-25 US disclosed
US-20230145249-A1 Monoacylglycerol Lipase Modulators JANSSEN PHARMACEUTICA NV (BE) 2023-05-11 US disclosed
US-20230145249-A1 Monoacylglycerol Lipase Modulators JANSSEN PHARMACEUTICA NV (BE) 2023-05-11 US disclosed
US-20220332713-A1 Monoacylglycerol Lipase Modulators JANSSEN PHARMACEUTICA NV (BE) 2022-10-20 US disclosed
US-20210171531-A1 MASP-2 INHIBITORS AND METHODS OF USE OMEROS CORPORATION 2021-06-10 US disclosed
US-10865216-B2 Tricyclic Gyrase inhibitors MERCK SHARP & DOHME CORP. (US) 2020-12-15 US disclosed
US-20180223045-A1 POLYIMIDE PRECURSOR COMPOSITION TOKYO OHKA KOGYO CO., LTD. (JP) 2018-08-09 US disclosed
US-9994555-B2 Chromenone inhibitors of monocarboxylate transporters THE SCRIPPS RESEARCH INSTITUTE (US) 2018-06-12 US disclosed
US-20180009792-A1 CHROMENONE INHIBITORS OF MONOCARBOXYLATE TRANSPORTERS THE SCRIPPS RESEARCH INSTITUTE (US) 2018-01-11 US disclosed
US-20180008605-A1 PTERIDINE DIONE MONOCARBOXYLATE TRANSPORTER INHIBITORS THE SCRIPPS RESEARCH INSTITUTE (US) 2018-01-11 US disclosed
US-20180002343-A1 HETEROCYCLIC INHIBITORS OF MONOCARBOXYLATE TRANSPORTERS UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INCORPORATED 2018-01-04 US disclosed
US-20170369487-A1 IMIDAZOPYRIDINES AND IMIDAZOPYRAZINES AS LSD1 INHIBITORS INCYTE CORPORATION 2017-12-28 US disclosed
US-20170369498-A1 TRICYCLIC GYRASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2017-12-28 US disclosed
US-9732083-B2 Tricyclic gyrase inhibitors MERCK SHARP & DOHME CORP. (US) 2017-08-15 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 (14 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-20180002343-A1 HETEROCYCLIC INHIBITORS OF MONOCARBOXYLATE TRANSPORTERS SLC16A1, SLC16A3, SLC16A7 HDAC6 562/4885IRAK4 1715/4885DYRK1A 4496/4885
US-20210171531-A1 MASP-2 INHIBITORS AND METHODS OF USE MASP2, METAP2, SPINT2 HDAC6 1125/4885IRAK4 4256/4885DYRK1A 3476/4885
US-20220332713-A1 Monoacylglycerol Lipase Modulators MGLL, LPL, PNLIP HDAC6 534/4885IRAK4 1827/4885DYRK1A 2576/4885
US-20180009792-A1 CHROMENONE INHIBITORS OF MONOCARBOXYLATE TRANSPORTERS SLC16A3, SLC16A1, SLC16A7 HDAC6 2301/4885IRAK4 495/4885DYRK1A 4285/4885
US-20170369487-A1 IMIDAZOPYRIDINES AND IMIDAZOPYRAZINES AS LSD1 INHIBITORS KDM5A, KDM1A, KDM1B HDAC6 137/4885IRAK4 618/4885DYRK1A 2818/4885
US-11807641-B2 MASP-2 inhibitors and methods of use MASP2, METAP2, SPINT2 HDAC6 1125/4885IRAK4 4256/4885DYRK1A 3476/4885
US-20230174523-A1 BENZENESULFONAMIDE DERIVATIVES AS TRAP1 MODULATORS AND USES THEREOF TRAP1, PINK1, TP53BP1 HDAC6 1341/4885IRAK4 2348/4885DYRK1A 1576/4885
US-20230145249-A1 Monoacylglycerol Lipase Modulators MGLL, LPL, PNLIP HDAC6 534/4885IRAK4 1827/4885DYRK1A 2576/4885
US-20180008605-A1 PTERIDINE DIONE MONOCARBOXYLATE TRANSPORTER INHIBITORS SLC16A1, SLC16A3, SLC16A7 HDAC6 2245/4885IRAK4 301/4885DYRK1A 3970/4885
US-20230295167-A1 POTENT AND SELECTIVE INHIBITORS OF HER2 ERBB2, EGFR, ERBB3 HDAC6 832/4885IRAK4 3599/4885DYRK1A 43/4885
US-20170369498-A1 TRICYCLIC GYRASE INHIBITORS TOP1, TOP2A, TOP2B HDAC6 836/4885IRAK4 4591/4885DYRK1A 3517/4885
US-20230159509-A1 PYRIDINESULFONAMIDE DERIVATIVES AS TRAP1 MODULATORS AND USES THEREOF TRAP1, PINK1, PPM1D HDAC6 1386/4885IRAK4 2080/4885DYRK1A 1389/4885
US-11820766-B2 Monoacylglycerol lipase modulators MGLL, LPL, PNLIP HDAC6 534/4885IRAK4 1827/4885DYRK1A 2576/4885
US-10865216-B2 Tricyclic Gyrase inhibitors TOP1, TOP2A, TOP2B HDAC6 892/4885IRAK4 4699/4885DYRK1A 3581/4885

“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.