SCHEMBL986116

SCHEMBL986116

CN(C)CCCOc1ccc2[nH]c(-c3cc(NC(=O)c4cnn(Cc5ccccc5)c4)c[nH]c3=O)cc2c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.45
SCD O00767 2/20 0.42
SCD5 Q86SK9 2/20 0.42
PDGFRB P09619 2/20 0.42
PDGFRA P16234 2/20 0.42
KDR P35968 3/20 0.41
RPS6KA2 Q15349 4/20 0.40
RPS6KA3 P51812 2/20 0.40
RPS6KA1 Q15418 1/20 0.40
RPS6KA6 Q9UK32 1/20 0.40
KLKB1 P03952 2/20 0.38
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 1/20 0.38
MAPT P10636 1/20 0.38
HPGD P15428 1/20 0.38
KMT2A Q03164 1/20 0.38
HSD17B10 Q99714 1/20 0.38
MCL1 Q07820 1/20 0.38
BUB1 O43683 2/20 0.38
KIT P10721 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
SCHEMBL949993 0.96 KDR (0.43) ALDH1A1SCDSCD5PDGFRBPDGFRA
SCHEMBL949259 0.94 SMN1; SMN2 (0.38) ALDH1A1SCDSCD5PDGFRBPDGFRA
SCHEMBL950162 0.93 ALDH1A1 (0.41) ALDH1A1SCDSCD5PDGFRBPDGFRA
SCHEMBL950927 0.93 ALDH1A1 (0.45) ALDH1A1SCDSCD5KDRRPS6KA2
SCHEMBL12946250 0.92 SMN1; SMN2 (0.39) ALDH1A1SCDSCD5PDGFRBPDGFRA
SCHEMBL12946252 0.92 SMN1; SMN2 (0.39) ALDH1A1SCDSCD5PDGFRBPDGFRA
SCHEMBL948538 0.91 ALDH1A1 (0.44) ALDH1A1SCDSCD5KDRRPS6KA2
SCHEMBL948711 0.90 KDR (0.40) ALDH1A1PDGFRBPDGFRAKDRKLKB1
SCHEMBL949584 0.90 KDR (0.40) ALDH1A1PDGFRBPDGFRAKDRRPS6KA2
SCHEMBL950079 0.89 ALDH1A1 (0.41) ALDH1A1SCDSCD5KDRRPS6KA2

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 9 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

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 1004/4885SCD 3802/4885SCD5 4304/4885
US-20200361905-A1 Indolyl-Pyridone Derivatives Having Checkpoint Kinase 1 Inhibitory Activity CHEK2, CHEK1, BUB1B ALDH1A1 1710/4885SCD 4494/4885SCD5 4167/4885
US-20150099736-A1 Indolyl-Pyridone Derivatives Having Checkpoint Kinase 1 Inhibitory Activity CHEK1, CHEK2, RAD1 ALDH1A1 1004/4885SCD 3802/4885SCD5 4304/4885
US-10696652-B2 Indolyl-pyridone derivatives having checkpoint kinase 1 inhibitory activity CHEK2, CHEK1, BUB1B ALDH1A1 1710/4885SCD 4494/4885SCD5 4167/4885
US-20110021498-A1 INDOLYL- PYRIDONE DERIVATIVES HAVING CHECKPOINT KINASE 1 INHIBITORY ACTIVITY CHEK1, CHEK2, BUB1 ALDH1A1 1503/4885SCD 4135/4885SCD5 4549/4885

“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.