SCHEMBL15520441

SCHEMBL15520441

CN(C)CCCOc1ccc2[nH]c(-c3c[c]c(C(N)=O)[nH]c3=O)cc2c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDGFRB P09619 2/20 0.52
PDGFRA P16234 2/20 0.52
KDR P35968 5/20 0.51
FLT3 P36888 1/20 0.44
CHEK2 O96017 2/20 0.42
AURKA O14965 1/20 0.40
KDM4E B2RXH2 5/20 0.39
ALDH1A1 P00352 5/20 0.39
PDE3B Q13370 3/20 0.38
PDE3A Q14432 3/20 0.38
P2RY12 Q9H244 2/20 0.38
HPGD P15428 3/20 0.38
HSD17B10 Q99714 3/20 0.38
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38
PDE5A O76074 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
TSHR P16473 1/20 0.38
PTAFR P25105 1/20 0.38

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
SCHEMBL15519663 0.95 KDR (0.54) PDGFRBPDGFRAKDRFLT3CHEK2
SCHEMBL15519984 0.91 KDR (0.47) PDGFRBPDGFRAKDRAURKAKDM4E
SCHEMBL15520117 0.88 KDR (0.50) PDGFRBPDGFRAKDRFLT3KDM4E
SCHEMBL4020825 0.84 KDR (0.42) PDGFRBPDGFRAKDRFLT3AURKA
SCHEMBL15520158 0.83 KDR (0.56) KDRAURKA
SCHEMBL15520099 0.83 KDR (0.41) PDGFRBPDGFRAKDRFLT3AURKA
SCHEMBL15520073 0.82 KDR (0.40) PDGFRBPDGFRAKDRFLT3KDM4E
SCHEMBL15520507 0.82 KDR (0.61) PDGFRBPDGFRAKDRFLT3AURKA
SCHEMBL15520619 0.82 KDR (0.61) PDGFRBPDGFRAKDRFLT3CHEK2
SCHEMBL15520356 0.81 KDR (0.66) PDGFRBPDGFRAKDRFLT3CHEK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8916591-B2 Indolyl-pyridone derivatives having checkpoint kinase 1 inhibitory activity VERNALIS (R&D) LTD (GB) 2014-12-23 US claimed
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 PDGFRB 411/4885PDGFRA 485/4885KDR 1088/4885
US-20200361905-A1 Indolyl-Pyridone Derivatives Having Checkpoint Kinase 1 Inhibitory Activity CHEK2, CHEK1, BUB1B PDGFRB 1257/4885PDGFRA 1201/4885KDR 1813/4885
US-20150099736-A1 Indolyl-Pyridone Derivatives Having Checkpoint Kinase 1 Inhibitory Activity CHEK1, CHEK2, RAD1 PDGFRB 411/4885PDGFRA 485/4885KDR 1088/4885
US-10696652-B2 Indolyl-pyridone derivatives having checkpoint kinase 1 inhibitory activity CHEK2, CHEK1, BUB1B PDGFRB 1257/4885PDGFRA 1201/4885KDR 1813/4885
US-20150011513-A1 ALKYNE-, AZIDE- AND TRIAZOLE-CONTAINING FLAVONOIDS AS MODULATORS FOR MULTIDRUG RESISTANCE IN CANCERS ABCG2, ABCB1, ABCC1 PDGFRB 4371/4885PDGFRA 4555/4885KDR 1159/4885
US-20180244652-A1 Indolyl-Pyridone Derivatives Having Checkpoint Kinase 1 Inhibitory Activity CHEK2, CHEK1, BUB1B PDGFRB 1257/4885PDGFRA 1201/4885KDR 1813/4885

“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.