SCHEMBL948538

SCHEMBL948538

CCN(CC)CCOc1ccc2[nH]c(-c3cc(NC(=O)c4cnn(Cc5ccccc5)c4)c[nH]c3=O)cc2c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.44
KDR P35968 2/20 0.41
RPS6KA3 P51812 3/20 0.40
RPS6KA2 Q15349 2/20 0.40
RPS6KA1 Q15418 2/20 0.40
RPS6KA6 Q9UK32 2/20 0.40
ALK Q9UM73 4/20 0.39
LYN P07948 1/20 0.38
SRC P12931 1/20 0.38
BUB1 O43683 3/20 0.37
KLKB1 P03952 1/20 0.37
RIPK2 O43353 1/20 0.37
ACVR1 Q04771 1/20 0.37
NOD2 Q9HC29 1/20 0.37
MCHR1 Q99705 1/20 0.37
MAPT P10636 2/20 0.37
KDM4E B2RXH2 1/20 0.37
HSD17B10 Q99714 1/20 0.37
SCD O00767 1/20 0.37
SCD5 Q86SK9 1/20 0.37

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
SCHEMBL950927 0.97 ALDH1A1 (0.45) ALDH1A1KDRRPS6KA3RPS6KA2RPS6KA1
SCHEMBL952153 0.94 ALDH1A1 (0.39) ALDH1A1KDRRPS6KA3RPS6KA2RPS6KA1
SCHEMBL949629 0.94 MAPT (0.38) ALDH1A1KDRALKBUB1KLKB1
SCHEMBL949993 0.93 KDR (0.43) ALDH1A1KDRRPS6KA3RPS6KA2RPS6KA1
SCHEMBL15580581 0.92 RIPK2 (0.40) ALDH1A1KDRALKBUB1KLKB1
SCHEMBL12946386 0.92 SMN1; SMN2 (0.38) ALDH1A1KDRALKLYNSRC
SCHEMBL12946254 0.92 SMN1; SMN2 (0.38) ALDH1A1KDRALKBUB1KLKB1
SCHEMBL986116 0.91 ALDH1A1 (0.45) ALDH1A1KDRRPS6KA3RPS6KA2RPS6KA1
SCHEMBL947887 0.91 ALDH1A1 (0.40) ALDH1A1KDRRPS6KA3RPS6KA2RPS6KA1
SCHEMBL947940 0.91 MAPT (0.39) ALDH1A1KDRRPS6KA2SRCBUB1

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 ALDH1A1 1004/4885KDR 1088/4885RPS6KA3 564/4885
US-20200361905-A1 Indolyl-Pyridone Derivatives Having Checkpoint Kinase 1 Inhibitory Activity CHEK2, CHEK1, BUB1B ALDH1A1 1710/4885KDR 1813/4885RPS6KA3 528/4885
US-20150099736-A1 Indolyl-Pyridone Derivatives Having Checkpoint Kinase 1 Inhibitory Activity CHEK1, CHEK2, RAD1 ALDH1A1 1004/4885KDR 1088/4885RPS6KA3 564/4885
US-10696652-B2 Indolyl-pyridone derivatives having checkpoint kinase 1 inhibitory activity CHEK2, CHEK1, BUB1B ALDH1A1 1710/4885KDR 1813/4885RPS6KA3 528/4885
US-20110021498-A1 INDOLYL- PYRIDONE DERIVATIVES HAVING CHECKPOINT KINASE 1 INHIBITORY ACTIVITY CHEK1, CHEK2, BUB1 ALDH1A1 1503/4885KDR 1967/4885RPS6KA3 523/4885

“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.