SCHEMBL949408

SCHEMBL949408

O=C(Nc1c[nH]c(=O)c(-c2cc3cc(CN4CCCCC4)ccc3[nH]2)c1)c1cnn(Cc2ccc(Cl)cc2)c1

nearest known ligand 0.51

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 16/20 0.51
HTR2C P28335 2/20 0.45
MCHR1 Q99705 2/20 0.45
MLLT1 Q03111 1/20 0.43
KLKB1 P03952 1/20 0.41

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
SCHEMBL949464 0.99 CHEK1 (0.49) CHEK1HTR2CMCHR1KLKB1
SCHEMBL950529 0.94 CHEK1 (0.51) CHEK1HTR2CMCHR1
SCHEMBL949304 0.93 CHEK1 (0.52) CHEK1HTR2CMCHR1KLKB1
SCHEMBL949831 0.93 CHEK1 (0.50) CHEK1HTR2CMCHR1
SCHEMBL949819 0.93 CHEK1 (0.49) CHEK1HTR2CMCHR1
SCHEMBL12946168 0.93 CHEK1 (0.45) CHEK1HTR2CMCHR1
SCHEMBL949145 0.93 CHEK1 (0.51) CHEK1KLKB1
SCHEMBL952388 0.93 CHEK1 (0.48) CHEK1
SCHEMBL948841 0.93 CHEK1 (0.51) CHEK1HTR2CMCHR1KLKB1
SCHEMBL949179 0.92 CHEK1 (0.52) CHEK1HTR2CMCHR1

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
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 CHEK1 1/4885HTR2C 699/4885MCHR1 1775/4885
US-20200361905-A1 Indolyl-Pyridone Derivatives Having Checkpoint Kinase 1 Inhibitory Activity CHEK2, CHEK1, BUB1B CHEK1 2/4885HTR2C 3217/4885MCHR1 3144/4885
US-20150099736-A1 Indolyl-Pyridone Derivatives Having Checkpoint Kinase 1 Inhibitory Activity CHEK1, CHEK2, RAD1 CHEK1 1/4885HTR2C 699/4885MCHR1 1775/4885
US-10696652-B2 Indolyl-pyridone derivatives having checkpoint kinase 1 inhibitory activity CHEK2, CHEK1, BUB1B CHEK1 2/4885HTR2C 3217/4885MCHR1 3144/4885
US-20110021498-A1 INDOLYL- PYRIDONE DERIVATIVES HAVING CHECKPOINT KINASE 1 INHIBITORY ACTIVITY CHEK1, CHEK2, BUB1 CHEK1 1/4885HTR2C 676/4885MCHR1 2217/4885

“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.