SCHEMBL3574684

SCHEMBL3574684

CC1(C)NC(=O)Cc2cc(Br)ccc21

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP2 O95551 3/20 0.54
CMA1 P23946 2/20 0.53
AHR P35869 2/20 0.53
BRD4 O60885 1/20 0.41
METAP1 P53582 1/20 0.40
PGR P06401 2/20 0.40
KMT2A Q03164 3/20 0.37
MEN1 O00255 2/20 0.37
MAPT P10636 1/20 0.37
ALOX15 P16050 1/20 0.37
ALOX12 P18054 1/20 0.37
HBB P68871 1/20 0.37
HSD17B10 Q99714 1/20 0.37
PNMT P11086 3/20 0.36
PARP10 Q53GL7 2/20 0.36
PARP1 P09874 2/20 0.36
ADRA2A P08913 2/20 0.36
ADRA2B P18089 2/20 0.36
ADRA2C P18825 2/20 0.36
PARP11 Q9NR21 1/20 0.36

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
SCHEMBL19238957 0.81 ALDH1A1 (0.41) CMA1AHRMETAP1KMT2AMEN1
SCHEMBL19238960 0.80 AHR (0.53) TDP2CMA1AHRMETAP1PGR
SCHEMBL20889841 0.78 PARP1 (0.40) TDP2CMA1AHRMAPTPARP1
SCHEMBL20883888 0.78 HPGD (0.49) TDP2KMT2AMEN1MAPTALOX15
SCHEMBL24620670 0.78 ALDH1A1 (0.37) TDP2CMA1AHRMAPTHSD17B10
SCHEMBL19206207 0.76 TDP2 (0.50) TDP2CMA1AHRBRD4METAP1
SCHEMBL1951226 0.76 TDP2 (0.60) TDP2PGRKMT2AMEN1MAPT
SCHEMBL1953250 0.75 HTR2A (0.48) TDP2AHRBRD4
SCHEMBL8370875 0.75 TDP2 (0.47) TDP2CMA1AHRBRD4METAP1
Methylamine SCHEMBL27858404 0.72 AHR (0.89) TDP2CMA1AHRBRD4KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230125280-A1 TETRAHYDROISOQUINOLINE DERIVATIVES CYTOKINETICS, INCORPORATED 2023-04-27 US disclosed
US-20230125280-A1 TETRAHYDROISOQUINOLINE DERIVATIVES CYTOKINETICS, INCORPORATED 2023-04-27 US disclosed
US-20230125280-A1 TETRAHYDROISOQUINOLINE DERIVATIVES CYTOKINETICS, INCORPORATED 2023-04-27 US disclosed
US-11479561-B2 Tetrahydroisoquinoline derivatives CYTOKINETICS, INCORPORATED (US) 2022-10-25 US disclosed
US-11479561-B2 Tetrahydroisoquinoline derivatives CYTOKINETICS, INCORPORATED (US) 2022-10-25 US disclosed
EP-4032877-A1 TETRAHYDROISOQUINOLINE DERIVATIVES Cytokinetics, Incorporated (US) 2022-07-27 EP disclosed
EP-3413892-B1 TETRAHYDROISOQUINOLINE DERIVATIVES CYTOKINETICS INC (US) 2022-04-20 EP disclosed
EP-3413892-B1 TETRAHYDROISOQUINOLINE DERIVATIVES CYTOKINETICS INC (US) 2022-04-20 EP disclosed
CN-113666938-A Tetrahydroisoquinoline derivatives 细胞动力学股份有限公司 2021-11-19 CN disclosed
CN-109069498-B Tetrahydroisoquinoline derivatives 细胞动力学股份有限公司 2021-08-17 CN disclosed
WO-2017139526-A1 TETRAHYDROISOQUINOLINE DERIVATIVES ASTELLAS PHARMA INC. (US) 2017-08-17 WO disclosed
US-7713994-B2 Substituted isoquinoline-1,3(2H,4H)-diones, 1-thioxo,1,4-dihydro-2H-isoquinoline-3-ones and 1,4-dihyro-3 (2H)-isoquinolones and methods of use thereof WYETH LLC (US) 2010-05-11 US disclosed
US-7713994-B2 Substituted isoquinoline-1,3(2H,4H)-diones, 1-thioxo,1,4-dihydro-2H-isoquinoline-3-ones and 1,4-dihyro-3 (2H)-isoquinolones and methods of use thereof WYETH LLC (US) 2010-05-11 US disclosed
US-7713994-B2 Substituted isoquinoline-1,3(2H,4H)-diones, 1-thioxo,1,4-dihydro-2H-isoquinoline-3-ones and 1,4-dihyro-3 (2H)-isoquinolones and methods of use thereof WYETH LLC (US) 2010-05-11 US disclosed
EP-1963273-A2 SUBSTITUTED ISOQUINOLINE-1,3(2H,4H)-DIONES, 1-THIOXO-1,4-DIHYDRO-2H-ISOQUINOLINE-3-ONES AND 1,4-DIHYDRO-3(2H)-ISOQUINOLONES AND USE THEREOF AS KINASE INHIBITORS Wyeth a Corporation of the State of Delaware (US) 2008-09-03 EP disclosed
US-20080085890-A1 Substituted isoquinoline-1,3(2H,4H)-diones, 1-thioxo-1,4-dihydro-2H-isoquinoline-3-ones and 1,4-dihydro-3 (2H)-isoquinolones and methods of use thereof WYETH (US) 2008-04-10 US disclosed
US-20080085890-A1 Substituted isoquinoline-1,3(2H,4H)-diones, 1-thioxo-1,4-dihydro-2H-isoquinoline-3-ones and 1,4-dihydro-3 (2H)-isoquinolones and methods of use thereof WYETH (US) 2008-04-10 US disclosed
US-20080085890-A1 Substituted isoquinoline-1,3(2H,4H)-diones, 1-thioxo-1,4-dihydro-2H-isoquinoline-3-ones and 1,4-dihydro-3 (2H)-isoquinolones and methods of use thereof WYETH (US) 2008-04-10 US disclosed
WO-2007075783-A2 SUBSTITUTED ISOQUINOLINE-1,3(2H,4H)-DIONES, 1-THIOXO-1,4-DIHYDRO-2H-ISOQUINOLINE-3-ONES AND 1,4-DIHYDRO-3(2H)-ISOQUINOLONES AND USE THEREOF AS KINASE INHIBITOR WYETH (US) 2007-07-05 WO disclosed
WO-2007075783-A2 SUBSTITUTED ISOQUINOLINE-1,3(2H,4H)-DIONES, 1-THIOXO-1,4-DIHYDRO-2H-ISOQUINOLINE-3-ONES AND 1,4-DIHYDRO-3(2H)-ISOQUINOLONES AND USE THEREOF AS KINASE INHIBITOR WYETH (US) 2007-07-05 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 (3 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-20230125280-A1 TETRAHYDROISOQUINOLINE DERIVATIVES TNNC1, TNNI3, TNNT2 TDP2 176/4885CMA1 2020/4885AHR 3711/4885
US-20080085890-A1 Substituted isoquinoline-1,3(2H,4H)-diones, 1-thioxo-1,4-dihydro-2H-isoquinoline-3-ones and 1,4-dihydro-3 (2H)-isoquinolones and methods of use thereof SULT1E1, RECQL, HAX1 TDP2 511/4885CMA1 3659/4885AHR 1357/4885
US-11479561-B2 Tetrahydroisoquinoline derivatives TNNC1, TNNI3, TNNT2 TDP2 176/4885CMA1 2020/4885AHR 3711/4885

“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.