SCHEMBL950608

SCHEMBL950608

O=C(Nc1c[nH]c(=O)c(-c2cc3cc(OCCN4CCCC4)ccc3[nH]2)c1)c1cnn(Cc2ccccc2)c1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDR P35968 6/20 0.51
AURKA O14965 2/20 0.44
PDGFRB P09619 1/20 0.43
PDGFRA P16234 1/20 0.43
BUB1 O43683 4/20 0.41
ALDH1A1 P00352 1/20 0.41
ROCK2 O75116 1/20 0.40
ROCK1 Q13464 1/20 0.40
MET P08581 1/20 0.40
MCHR1 Q99705 2/20 0.40
RPS6KA3 P51812 2/20 0.40
FLT3 P36888 1/20 0.40
RPS6KA2 Q15349 1/20 0.40
RPS6KA1 Q15418 1/20 0.40
RPS6KA6 Q9UK32 1/20 0.40
CHEK1 O14757 1/20 0.40
NUAK1 O60285 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
SCHEMBL951371 0.99 KDR (0.53) KDRAURKAPDGFRBPDGFRABUB1
SCHEMBL949783 0.96 KDR (0.48) KDRAURKAPDGFRBPDGFRAALDH1A1
SCHEMBL950171 0.95 KDR (0.48) KDRAURKABUB1ALDH1A1RPS6KA3
SCHEMBL949784 0.93 KDR (0.48) KDRAURKAPDGFRBPDGFRABUB1
SCHEMBL12946425 0.92 KDR (0.48) KDRAURKAPDGFRBPDGFRAALDH1A1
SCHEMBL950198 0.91 KDR (0.47) KDRAURKABUB1ALDH1A1ROCK2
SCHEMBL12946427 0.91 KDR (0.46) KDRAURKAPDGFRBPDGFRABUB1
SCHEMBL950981 0.91 KDR (0.46) KDRAURKAPDGFRBPDGFRAMCHR1
SCHEMBL12946440 0.91 KDR (0.46) KDRAURKAPDGFRBPDGFRABUB1
SCHEMBL1039823 0.90 KDR (0.41) KDRBUB1ALDH1A1RPS6KA3RPS6KA2

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-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-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
US-20110021498-A1 INDOLYL- PYRIDONE DERIVATIVES HAVING CHECKPOINT KINASE 1 INHIBITORY ACTIVITY VERNALIS (R & D) LTD (GB) 2011-01-27 US disclosed
US-20110021498-A1 INDOLYL- PYRIDONE DERIVATIVES HAVING CHECKPOINT KINASE 1 INHIBITORY ACTIVITY VERNALIS (R & D) LTD (GB) 2011-01-27 US disclosed
WO-2009093012-A1 INDOLYL- PYRIDONE DERIVATIVES HAVING CHECKPOINT KINASE 1 INHIBITORY ACTIVITY VERNALIS (R & D) LTD (GB) 2009-07-30 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 (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 1088/4885AURKA 7/4885PDGFRB 411/4885
US-20200361905-A1 Indolyl-Pyridone Derivatives Having Checkpoint Kinase 1 Inhibitory Activity CHEK2, CHEK1, BUB1B KDR 1813/4885AURKA 11/4885PDGFRB 1257/4885
US-20150099736-A1 Indolyl-Pyridone Derivatives Having Checkpoint Kinase 1 Inhibitory Activity CHEK1, CHEK2, RAD1 KDR 1088/4885AURKA 7/4885PDGFRB 411/4885
US-10696652-B2 Indolyl-pyridone derivatives having checkpoint kinase 1 inhibitory activity CHEK2, CHEK1, BUB1B KDR 1813/4885AURKA 11/4885PDGFRB 1257/4885
US-20110021498-A1 INDOLYL- PYRIDONE DERIVATIVES HAVING CHECKPOINT KINASE 1 INHIBITORY ACTIVITY CHEK1, CHEK2, BUB1 KDR 1967/4885AURKA 7/4885PDGFRB 1091/4885

“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.