SCHEMBL947618

SCHEMBL947618

Cc1ccccc1Cn1cc(NC(=O)c2c[nH]c(=O)c(-c3cc4ccccc4[nH]3)c2)cn1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RPS6KA2 Q15349 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
HPGD P15428 7/20 0.47
KDM4E B2RXH2 6/20 0.47
RAB9A P51151 2/20 0.47
NPC1 O15118 1/20 0.47
ALDH1A1 P00352 6/20 0.46
POLB P06746 1/20 0.46
HSD17B10 Q99714 3/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
MAPT P10636 2/20 0.45
CYP2C19 P33261 2/20 0.43
TSHR P16473 1/20 0.43
TAS2R8 Q9NYW2 3/20 0.41
USP2 O75604 2/20 0.41
GAA P10253 2/20 0.41
ALOX15 P16050 1/20 0.41
CASP1 P29466 1/20 0.41
MAPK1 P28482 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
SCHEMBL949119 0.90 SCD5 (0.48) RPS6KA2SMN1; SMN2KDM4ETAS2R8
SCHEMBL950985 0.89 ITK (0.44) RPS6KA2SMN1; SMN2ALDH1A1MAPTCYP2C19
SCHEMBL952163 0.88 ITK (0.51) RPS6KA2ALDH1A1
SCHEMBL950523 0.87 TAS2R8 (0.46) RPS6KA2ALDH1A1TAS2R8
SCHEMBL952360 0.87 SCD5 (0.40) RPS6KA2SMN1; SMN2ALDH1A1MAPTCYP2C19
SCHEMBL950895 0.86 SMN1; SMN2 (0.49) RPS6KA2SMN1; SMN2HPGDKDM4EALDH1A1
SCHEMBL949336 0.86 RPS6KA2 (0.46) RPS6KA2ALDH1A1
SCHEMBL948933 0.85 L3MBTL1 (0.49) RPS6KA2SMN1; SMN2HPGDKDM4ERAB9A
SCHEMBL949043 0.85 ALDH1A1 (0.47) SMN1; SMN2HPGDKDM4ERAB9ANPC1
SCHEMBL948351 0.85 ITK (0.42) RPS6KA2ALDH1A1

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 RPS6KA2 889/4885SMN1; SMN2 3588/4885HPGD 2640/4885
US-20200361905-A1 Indolyl-Pyridone Derivatives Having Checkpoint Kinase 1 Inhibitory Activity CHEK2, CHEK1, BUB1B RPS6KA2 530/4885SMN1; SMN2 2232/4885HPGD 2402/4885
US-20150099736-A1 Indolyl-Pyridone Derivatives Having Checkpoint Kinase 1 Inhibitory Activity CHEK1, CHEK2, RAD1 RPS6KA2 889/4885SMN1; SMN2 3588/4885HPGD 2640/4885
US-10696652-B2 Indolyl-pyridone derivatives having checkpoint kinase 1 inhibitory activity CHEK2, CHEK1, BUB1B RPS6KA2 530/4885SMN1; SMN2 2232/4885HPGD 2402/4885
US-20110021498-A1 INDOLYL- PYRIDONE DERIVATIVES HAVING CHECKPOINT KINASE 1 INHIBITORY ACTIVITY CHEK1, CHEK2, BUB1 RPS6KA2 666/4885SMN1; SMN2 3670/4885HPGD 2246/4885

“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.