SCHEMBL949246

SCHEMBL949246

CCN(CCO)Cc1ccc2[nH]c(-c3cc(NC(=O)c4cnn(Cc5ccc(Cl)cc5)c4)c[nH]c3=O)cc2c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.38
KDM4E B2RXH2 1/20 0.36
KLKB1 P03952 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
MEN1 O00255 4/20 0.36
KMT2A Q03164 4/20 0.36
HTT P42858 1/20 0.36
MAPT P10636 5/20 0.36
CYP2C19 P33261 3/20 0.36
CYP1A2 P05177 2/20 0.36
CYP2C9 P11712 2/20 0.36
RPS6KA3 P51812 3/20 0.35
RPS6KA2 Q15349 2/20 0.35
RPS6KA1 Q15418 2/20 0.35
RPS6KA6 Q9UK32 2/20 0.35
LMNA P02545 4/20 0.35
TP53 P04637 1/20 0.35
HPGD P15428 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
PLA2G1B P04054 1/20 0.35

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
SCHEMBL947608 0.94 RPS6KA2 (0.41) RPS6KA3RPS6KA2RPS6KA1RPS6KA6
SCHEMBL948893 0.89 KLKB1 (0.40) SMN1; SMN2KLKB1L3MBTL1MAPTCYP2C19
SCHEMBL13770068 0.88 CHEK1 (0.35) MAPTCYP2C19RPS6KA3RPS6KA2RPS6KA1
SCHEMBL13769997 0.87 CHEK1 (0.34) RPS6KA3RPS6KA2RPS6KA1RPS6KA6CHEK1
SCHEMBL951027 0.86 KLKB1 (0.38) KLKB1L3MBTL1RPS6KA3RPS6KA2RPS6KA1
SCHEMBL950328 0.85 SMN1; SMN2 (0.39) SMN1; SMN2KDM4EKLKB1L3MBTL1MEN1
SCHEMBL951797 0.85 SCD (0.38) SMN1; SMN2KLKB1MAPTCYP2C19CYP1A2
SCHEMBL952388 0.84 CHEK1 (0.48) CHEK1F10
SCHEMBL19493245 0.84 SMN1; SMN2 (0.38) SMN1; SMN2KDM4EKLKB1L3MBTL1MEN1
SCHEMBL15580585 0.84 KLKB1 (0.37) SMN1; SMN2KLKB1MAPTCYP2C19CYP1A2

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 SMN1; SMN2 3588/4885KDM4E 1287/4885KLKB1 2234/4885
US-20200361905-A1 Indolyl-Pyridone Derivatives Having Checkpoint Kinase 1 Inhibitory Activity CHEK2, CHEK1, BUB1B SMN1; SMN2 2232/4885KDM4E 1198/4885KLKB1 884/4885
US-20150099736-A1 Indolyl-Pyridone Derivatives Having Checkpoint Kinase 1 Inhibitory Activity CHEK1, CHEK2, RAD1 SMN1; SMN2 3588/4885KDM4E 1287/4885KLKB1 2234/4885
US-10696652-B2 Indolyl-pyridone derivatives having checkpoint kinase 1 inhibitory activity CHEK2, CHEK1, BUB1B SMN1; SMN2 2232/4885KDM4E 1198/4885KLKB1 884/4885
US-20110021498-A1 INDOLYL- PYRIDONE DERIVATIVES HAVING CHECKPOINT KINASE 1 INHIBITORY ACTIVITY CHEK1, CHEK2, BUB1 SMN1; SMN2 3670/4885KDM4E 1439/4885KLKB1 1071/4885

“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.