SCHEMBL1077979

SCHEMBL1077979

O=C(Nc1c[nH]c(=O)c(-c2cc3cc(OCCCN4CCCC4=O)ccc3[nH]2)c1)c1cnn(Cc2ccccc2)c1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDR P35968 3/20 0.41
BUB1 O43683 4/20 0.41
ALDH1A1 P00352 1/20 0.40
RPS6KA2 Q15349 3/20 0.38
KLKB1 P03952 1/20 0.38
RPS6KA3 P51812 4/20 0.38
RPS6KA1 Q15418 1/20 0.38
RPS6KA6 Q9UK32 1/20 0.38
SYK P43405 1/20 0.37
PDK2 Q15119 1/20 0.37
EGFR P00533 1/20 0.36
ITK Q08881 1/20 0.36
POLB P06746 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
SCHEMBL949783 0.91 KDR (0.48) KDRALDH1A1
SCHEMBL950608 0.89 KDR (0.51) KDRBUB1ALDH1A1RPS6KA2RPS6KA3
SCHEMBL950198 0.89 KDR (0.47) KDRBUB1ALDH1A1RPS6KA2RPS6KA3
SCHEMBL951371 0.89 KDR (0.53) KDRBUB1ALDH1A1
SCHEMBL950171 0.87 KDR (0.48) KDRBUB1ALDH1A1RPS6KA2RPS6KA3
SCHEMBL986116 0.86 ALDH1A1 (0.45) KDRBUB1ALDH1A1RPS6KA2KLKB1
SCHEMBL949993 0.85 KDR (0.43) KDRBUB1ALDH1A1RPS6KA2KLKB1
SCHEMBL950927 0.85 ALDH1A1 (0.45) KDRBUB1ALDH1A1RPS6KA2KLKB1
SCHEMBL948918 0.84 KDR (0.44) KDRBUB1RPS6KA2
SCHEMBL949291 0.84 KDR (0.45) KDRALDH1A1

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 1088/4885BUB1 4/4885ALDH1A1 1004/4885
US-20200361905-A1 Indolyl-Pyridone Derivatives Having Checkpoint Kinase 1 Inhibitory Activity CHEK2, CHEK1, BUB1B KDR 1813/4885BUB1 4/4885ALDH1A1 1710/4885
US-20150099736-A1 Indolyl-Pyridone Derivatives Having Checkpoint Kinase 1 Inhibitory Activity CHEK1, CHEK2, RAD1 KDR 1088/4885BUB1 4/4885ALDH1A1 1004/4885
US-10696652-B2 Indolyl-pyridone derivatives having checkpoint kinase 1 inhibitory activity CHEK2, CHEK1, BUB1B KDR 1813/4885BUB1 4/4885ALDH1A1 1710/4885
US-20110021498-A1 INDOLYL- PYRIDONE DERIVATIVES HAVING CHECKPOINT KINASE 1 INHIBITORY ACTIVITY CHEK1, CHEK2, BUB1 KDR 1967/4885BUB1 3/4885ALDH1A1 1503/4885

“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.