SCHEMBL15520535

SCHEMBL15520535

NC(=O)c1[c]cc(-c2cc3cc(OCCCN4CCOCC4)ccc3[nH]2)c(=O)[nH]1

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDR P35968 8/20 0.55
HRH3 Q9Y5N1 3/20 0.51
AURKA O14965 5/20 0.51
PDGFRB P09619 1/20 0.51
PDGFRA P16234 1/20 0.51
KDM4E B2RXH2 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
CHEK1 O14757 2/20 0.41
ALDH1A1 P00352 1/20 0.41
MAPT P10636 1/20 0.41
CHUK O15111 1/20 0.41
INSR P06213 1/20 0.41
MAPK8 P45983 1/20 0.41
CAMKK2 Q96RR4 1/20 0.41
SIGMAR1 Q99720 1/20 0.40

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
SCHEMBL15520660 0.96 KDR (0.56) KDRHRH3AURKAPDGFRBPDGFRA
SCHEMBL15520619 0.91 KDR (0.61) KDRHRH3AURKAPDGFRBPDGFRA
SCHEMBL15520158 0.91 KDR (0.56) KDRHRH3AURKA
SCHEMBL15520356 0.88 KDR (0.66) KDRHRH3AURKAPDGFRBPDGFRA
SCHEMBL15520748 0.87 KDR (0.68) KDRHRH3AURKAPDGFRBPDGFRA
SCHEMBL15520507 0.86 KDR (0.61) KDRAURKAPDGFRBPDGFRAKDM4E
SCHEMBL15520380 0.85 KDR (0.43) KDRHRH3AURKAPDGFRBPDGFRA
SCHEMBL15520628 0.84 KDR (0.49) KDRHRH3AURKAPDGFRBPDGFRA
SCHEMBL15520538 0.82 HRH3 (0.51) KDRHRH3AURKAPDGFRBPDGFRA
SCHEMBL15520546 0.82 CHEK1 (0.57) CHEK1

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 8 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-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 (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-20170298043-A1 Indolyl-Pyridone Derivatives Having Checkpoint Kinase 1 Inhibitory Activity CHEK1, CHEK2, RAD1 KDR 1088/4885HRH3 20/4885AURKA 7/4885
US-20200361905-A1 Indolyl-Pyridone Derivatives Having Checkpoint Kinase 1 Inhibitory Activity CHEK2, CHEK1, BUB1B KDR 1813/4885HRH3 1892/4885AURKA 11/4885
US-20150099736-A1 Indolyl-Pyridone Derivatives Having Checkpoint Kinase 1 Inhibitory Activity CHEK1, CHEK2, RAD1 KDR 1088/4885HRH3 20/4885AURKA 7/4885
US-10696652-B2 Indolyl-pyridone derivatives having checkpoint kinase 1 inhibitory activity CHEK2, CHEK1, BUB1B KDR 1813/4885HRH3 1892/4885AURKA 11/4885
US-20180244652-A1 Indolyl-Pyridone Derivatives Having Checkpoint Kinase 1 Inhibitory Activity CHEK2, CHEK1, BUB1B KDR 1813/4885HRH3 1892/4885AURKA 11/4885

“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.