SCHEMBL949043

SCHEMBL949043

O=C(Nc1cnn(Cc2ccc(F)cc2)c1)c1c[nH]c(=O)c(-c2cc3ccccc3[nH]2)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.47
LMNA P02545 4/20 0.47
MAPT P10636 3/20 0.47
HTT P42858 2/20 0.47
MAPK1 P28482 1/20 0.47
SMN1; SMN2 Q16637 4/20 0.46
KDM4E B2RXH2 3/20 0.46
SCD5 Q86SK9 3/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
POLB P06746 1/20 0.46
GBA1 P04062 1/20 0.45
HSD17B10 Q99714 3/20 0.45
RAB9A P51151 2/20 0.45
NAMPT P43490 1/20 0.44
ITK Q08881 3/20 0.44
TCF4 P15884 1/20 0.43
CTNNB1 P35222 1/20 0.43
NPC1 O15118 1/20 0.42
HPGD P15428 1/20 0.42

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
SCHEMBL948351 0.93 ITK (0.42) ALDH1A1SCD5NAMPTITKSCD
SCHEMBL952163 0.93 ITK (0.51) ALDH1A1SCD5NAMPTITKSCD
SCHEMBL950895 0.93 SMN1; SMN2 (0.49) ALDH1A1LMNAMAPTHTTSMN1; SMN2
SCHEMBL949773 0.92 SCD (0.50) SCD5SCD
SCHEMBL948498 0.92 SCD (0.47) ALDH1A1MAPTSMN1; SMN2SCD5MEN1
SCHEMBL950985 0.92 ITK (0.44) ALDH1A1MAPTSMN1; SMN2SCD5ITK
SCHEMBL949166 0.91 ITK (0.40) ALDH1A1MAPTSMN1; SMN2SCD5NAMPT
SCHEMBL949336 0.91 RPS6KA2 (0.46) ALDH1A1SCD5ITKSCD
SCHEMBL948933 0.90 L3MBTL1 (0.49) ALDH1A1MAPTSMN1; SMN2KDM4ESCD5
SCHEMBL948091 0.90 ALDH1A1 (0.41) ALDH1A1LMNAMAPTHTTMAPK1

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
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 1004/4885LMNA 1114/4885MAPT 4198/4885
US-20200361905-A1 Indolyl-Pyridone Derivatives Having Checkpoint Kinase 1 Inhibitory Activity CHEK2, CHEK1, BUB1B ALDH1A1 1710/4885LMNA 2426/4885MAPT 2482/4885
US-20150099736-A1 Indolyl-Pyridone Derivatives Having Checkpoint Kinase 1 Inhibitory Activity CHEK1, CHEK2, RAD1 ALDH1A1 1004/4885LMNA 1114/4885MAPT 4198/4885
US-10696652-B2 Indolyl-pyridone derivatives having checkpoint kinase 1 inhibitory activity CHEK2, CHEK1, BUB1B ALDH1A1 1710/4885LMNA 2426/4885MAPT 2482/4885
US-20110021498-A1 INDOLYL- PYRIDONE DERIVATIVES HAVING CHECKPOINT KINASE 1 INHIBITORY ACTIVITY CHEK1, CHEK2, BUB1 ALDH1A1 1503/4885LMNA 1195/4885MAPT 4536/4885

“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.