SCHEMBL950981

SCHEMBL950981

O=C(Nc1c[nH]c(=O)c(-c2cc3cc(OCCN4CCCCC4)ccc3[nH]2)c1)c1cnn(Cc2ccc(C(F)(F)F)cc2)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 4/20 0.46
HTR2A P28223 4/20 0.43
HTR2C P28335 4/20 0.43
AURKA O14965 2/20 0.41
CHEK1 O14757 3/20 0.40
FLT3 P36888 1/20 0.40
PDGFRB P09619 1/20 0.39
PDGFRA P16234 1/20 0.39
NUAK1 O60285 1/20 0.39
HRH3 Q9Y5N1 1/20 0.38
PDE3B Q13370 1/20 0.38
PDE3A Q14432 1/20 0.38
KCNH2 Q12809 1/20 0.38
MCHR1 Q99705 1/20 0.38
ESR1 P03372 1/20 0.38
CLK2 P49760 1/20 0.38
CLK3 P49761 1/20 0.38
GSK3B P49841 1/20 0.38
DYRK1A Q13627 1/20 0.38
JAK2 O60674 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
SCHEMBL12946427 0.94 KDR (0.46) KDRHTR2AHTR2CAURKACHEK1
SCHEMBL949784 0.92 KDR (0.48) KDRHTR2CAURKACHEK1FLT3
SCHEMBL951371 0.92 KDR (0.53) KDRAURKACHEK1FLT3PDGFRB
SCHEMBL950608 0.91 KDR (0.51) KDRAURKACHEK1FLT3PDGFRB
SCHEMBL948293 0.91 KDR (0.42) KDRAURKACHEK1HRH3
SCHEMBL12946440 0.90 KDR (0.46) KDRAURKACHEK1FLT3PDGFRB
SCHEMBL948918 0.89 KDR (0.44) KDRHTR2CAURKACHEK1NUAK1
SCHEMBL949783 0.88 KDR (0.48) KDRAURKACHEK1PDGFRBPDGFRA
SCHEMBL12946425 0.87 KDR (0.48) KDRAURKACHEK1FLT3PDGFRB
SCHEMBL951162 0.87 KDR (0.42) KDRAURKACHEK1NUAK1HRH3

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 KDR 1088/4885HTR2A 1691/4885HTR2C 699/4885
US-20200361905-A1 Indolyl-Pyridone Derivatives Having Checkpoint Kinase 1 Inhibitory Activity CHEK2, CHEK1, BUB1B KDR 1813/4885HTR2A 3353/4885HTR2C 3217/4885
US-20150099736-A1 Indolyl-Pyridone Derivatives Having Checkpoint Kinase 1 Inhibitory Activity CHEK1, CHEK2, RAD1 KDR 1088/4885HTR2A 1691/4885HTR2C 699/4885
US-10696652-B2 Indolyl-pyridone derivatives having checkpoint kinase 1 inhibitory activity CHEK2, CHEK1, BUB1B KDR 1813/4885HTR2A 3353/4885HTR2C 3217/4885
US-20110021498-A1 INDOLYL- PYRIDONE DERIVATIVES HAVING CHECKPOINT KINASE 1 INHIBITORY ACTIVITY CHEK1, CHEK2, BUB1 KDR 1967/4885HTR2A 1680/4885HTR2C 676/4885

“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.