SCHEMBL15520795

SCHEMBL15520795

N#Cc1ccc(Cn2c[c]c(C(N)=O)n2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 7/20 0.43
CACNA1G O43497 1/20 0.40
CACNA1H O95180 1/20 0.40
CACNA1I Q9P0X4 1/20 0.40
HDAC1 Q13547 1/20 0.39
CYP11B1 P15538 4/20 0.38
CYP11B2 P19099 4/20 0.38
SLC2A1 P11166 2/20 0.38
SLC2A3 P11169 2/20 0.38
SLC2A4 P14672 2/20 0.38
JAK2 O60674 1/20 0.37
JAK1 P23458 1/20 0.37
IDO1 P14902 1/20 0.37
ALDH1A1 P00352 1/20 0.37
CYP3A4 P08684 1/20 0.37
MAPK1 P28482 1/20 0.37
CYP2C19 P33261 1/20 0.37
HSD17B10 Q99714 1/20 0.37
LOXL2 Q9Y4K0 1/20 0.37
MAPK8 P45983 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
SCHEMBL14699089 0.85 ADRA1D (0.47) CYP19A1CYP11B1CYP11B2JAK2JAK1
SCHEMBL15520768 0.82 LMNA (0.40) CACNA1GCACNA1HCACNA1IHDAC1SLC2A1
SCHEMBL1718132 0.81 PARP1 (0.48) CYP19A1CACNA1GCACNA1HCACNA1IALDH1A1
SCHEMBL4019841 0.80 CYP17A1 (0.39) CYP11B1ALDH1A1CYP3A4LOXL2
SCHEMBL15520091 0.78 CACNA1G (0.43) CYP19A1CACNA1GCACNA1HCACNA1IHDAC1
SCHEMBL15520585 0.76 CACNA1G (0.40) CACNA1GCACNA1HCACNA1IALDH1A1
SCHEMBL14699422 0.75 SLC2A1 (0.35) SLC2A1SLC2A3SLC2A4
SCHEMBL15520762 0.75 CYP11B1 (0.39) CACNA1GCACNA1HCACNA1IHDAC1CYP11B1
SCHEMBL14699416 0.73 HTT (0.43) HDAC1
SCHEMBL4024499 0.73 RECQL (0.44) CYP11B1ALDH1A1CYP3A4MAPK8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200361905-A1 Indolyl-Pyridone Derivatives Having Checkpoint Kinase 1 Inhibitory Activity VERNALIS R&D LTD (GB) 2020-11-19 US disclosed
US-10696652-B2 Indolyl-pyridone derivatives having checkpoint kinase 1 inhibitory activity VERNALIS (R&D) LTD. (GB) 2020-06-30 US disclosed
US-20180244652-A1 Indolyl-Pyridone Derivatives Having Checkpoint Kinase 1 Inhibitory Activity VERNALIS (R&D) LTD. (GB) 2018-08-30 US disclosed
US-20170298043-A1 Indolyl-Pyridone Derivatives Having Checkpoint Kinase 1 Inhibitory Activity VERNALIS (R&D) LTD. (GB) 2017-10-19 US disclosed
US-9604975-B2 Indolyl-pyridone derivatives having checkpoint kinase 1 inhibitory activity VERNALIS (R&D) LTD (GB) 2017-03-28 US disclosed
US-20150099736-A1 Indolyl-Pyridone Derivatives Having Checkpoint Kinase 1 Inhibitory Activity VERNALIS (R&D) LTD (GB) 2015-04-09 US disclosed
US-20150011513-A1 ALKYNE-, AZIDE- AND TRIAZOLE-CONTAINING FLAVONOIDS AS MODULATORS FOR MULTIDRUG RESISTANCE IN CANCERS THE ROYAL INSTITUTION FOR THE ADVANCEMENT OF LEARNING/MCGILL UNIVERSITY (CA) 2015-01-08 US disclosed
US-8916591-B2 Indolyl-pyridone derivatives having checkpoint kinase 1 inhibitory activity VERNALIS (R&D) LTD (GB) 2014-12-23 US disclosed
EP-2294065-B1 INDOLYL-PYRIDONE DERIVATIVES HAVING CHECKPOINT KINASE 1 INHIBITORY ACTIVITY VERNALIS R&D LTD (GB) 2014-03-19 EP 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 (6 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-20170298043-A1 Indolyl-Pyridone Derivatives Having Checkpoint Kinase 1 Inhibitory Activity CHEK1, CHEK2, RAD1 CYP19A1 2478/4885CACNA1G 4201/4885CACNA1H 3920/4885
US-20200361905-A1 Indolyl-Pyridone Derivatives Having Checkpoint Kinase 1 Inhibitory Activity CHEK2, CHEK1, BUB1B CYP19A1 3092/4885CACNA1G 4614/4885CACNA1H 4477/4885
US-20150099736-A1 Indolyl-Pyridone Derivatives Having Checkpoint Kinase 1 Inhibitory Activity CHEK1, CHEK2, RAD1 CYP19A1 2478/4885CACNA1G 4201/4885CACNA1H 3920/4885
US-10696652-B2 Indolyl-pyridone derivatives having checkpoint kinase 1 inhibitory activity CHEK2, CHEK1, BUB1B CYP19A1 3092/4885CACNA1G 4614/4885CACNA1H 4477/4885
US-20150011513-A1 ALKYNE-, AZIDE- AND TRIAZOLE-CONTAINING FLAVONOIDS AS MODULATORS FOR MULTIDRUG RESISTANCE IN CANCERS ABCG2, ABCB1, ABCC1 CYP19A1 488/4885CACNA1G 3250/4885CACNA1H 3688/4885
US-20180244652-A1 Indolyl-Pyridone Derivatives Having Checkpoint Kinase 1 Inhibitory Activity CHEK2, CHEK1, BUB1B CYP19A1 3092/4885CACNA1G 4614/4885CACNA1H 4477/4885

“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.