SCHEMBL952082

SCHEMBL952082

O=C(Nc1c[nH]c(=O)c(-c2cc3cc(CN4CCC(F)CC4)ccc3[nH]2)c1)c1cnn(CCc2ccc(F)cc2)c1

nearest known ligand 0.50

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 14/20 0.50
HTR1D P28221 1/20 0.40
HTR1B P28222 1/20 0.40
MCHR1 Q99705 3/20 0.38
HTR2C P28335 2/20 0.38
GSK3B P49841 1/20 0.38
DYRK1A Q13627 1/20 0.38
HTR1F P30939 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
SCHEMBL948987 0.94 CHEK1 (0.52) CHEK1HTR1DHTR1BMCHR1HTR2C
SCHEMBL948927 0.93 CHEK1 (0.50) CHEK1MCHR1HTR2C
SCHEMBL22679173 0.89 CHEK1 (0.51) CHEK1GSK3BDYRK1A
SCHEMBL948391 0.88 CHEK1 (0.46) CHEK1HTR1DHTR1BMCHR1HTR2C
SCHEMBL948800 0.88 CHEK1 (0.52) CHEK1GSK3BDYRK1A
SCHEMBL949179 0.88 CHEK1 (0.52) CHEK1MCHR1HTR2CGSK3BDYRK1A
SCHEMBL949307 0.88 CHEK1 (0.51) CHEK1GSK3BDYRK1A
SCHEMBL949831 0.87 CHEK1 (0.50) CHEK1MCHR1HTR2C
SCHEMBL12946189 0.86 CHEK1 (0.50) CHEK1HTR1DHTR1BMCHR1HTR2C
SCHEMBL12946276 0.86 CHEK1 (0.49) CHEK1GSK3BDYRK1A

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 8 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
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 CHEK1 1/4885HTR1D 365/4885HTR1B 611/4885
US-20200361905-A1 Indolyl-Pyridone Derivatives Having Checkpoint Kinase 1 Inhibitory Activity CHEK2, CHEK1, BUB1B CHEK1 2/4885HTR1D 2273/4885HTR1B 3104/4885
US-20150099736-A1 Indolyl-Pyridone Derivatives Having Checkpoint Kinase 1 Inhibitory Activity CHEK1, CHEK2, RAD1 CHEK1 1/4885HTR1D 365/4885HTR1B 611/4885
US-10696652-B2 Indolyl-pyridone derivatives having checkpoint kinase 1 inhibitory activity CHEK2, CHEK1, BUB1B CHEK1 2/4885HTR1D 2273/4885HTR1B 3104/4885
US-20110021498-A1 INDOLYL- PYRIDONE DERIVATIVES HAVING CHECKPOINT KINASE 1 INHIBITORY ACTIVITY CHEK1, CHEK2, BUB1 CHEK1 1/4885HTR1D 571/4885HTR1B 863/4885

“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.