SCHEMBL15519987

SCHEMBL15519987

CCN(CC)CCCOc1ccc2[nH]c(-c3cc(N)c[nH]c3=O)cc2c1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDR P35968 6/20 0.47
MAOB P27338 4/20 0.41
MAOA P21397 2/20 0.41
KDM4E B2RXH2 1/20 0.41
MAPT P10636 1/20 0.40
CHRNA7 P36544 1/20 0.40
KMT2A Q03164 1/20 0.40
AURKA O14965 2/20 0.40
SIGMAR1 Q99720 1/20 0.40
PDGFRB P09619 1/20 0.39
PDGFRA P16234 1/20 0.39
PARP1 P09874 1/20 0.39
XDH P47989 1/20 0.39
FGFR1 P11362 1/20 0.39
SRC P12931 1/20 0.39

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
SCHEMBL15520120 0.95 KDR (0.50) KDRMAPTCHRNA7KMT2APARP1
SCHEMBL15520318 0.90 KDR (0.51) KDRMAOAAURKAPDGFRBPDGFRA
SCHEMBL15520274 0.87 MAPT (0.46) KDRMAPTCHRNA7KMT2ASIGMAR1
SCHEMBL15520330 0.86 KDR (0.54) KDRKDM4EAURKAPDGFRBPDGFRA
SCHEMBL15520317 0.83 KDR (0.39) KDRKDM4EMAPTAURKAPDGFRB
SCHEMBL15520751 0.82 KDR (0.38) KDRKDM4EMAPTAURKAPARP1
SCHEMBL15520686 0.80 FFAR1 (0.37) KDRPARP1
SCHEMBL15520163 0.79 KDR (0.56) KDRAURKASIGMAR1
SCHEMBL15520622 0.78 KDR (0.62) KDRAURKAPDGFRBPDGFRAPARP1
SCHEMBL15520510 0.78 KDR (0.57) KDRAURKASIGMAR1PDGFRBPDGFRA

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-20180244652-A1 Indolyl-Pyridone Derivatives Having Checkpoint Kinase 1 Inhibitory Activity VERNALIS (R&D) LTD. (GB) 2018-08-30 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

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 1088/4885MAOB 2102/4885MAOA 2771/4885
US-20200361905-A1 Indolyl-Pyridone Derivatives Having Checkpoint Kinase 1 Inhibitory Activity CHEK2, CHEK1, BUB1B KDR 1813/4885MAOB 3735/4885MAOA 3454/4885
US-20150099736-A1 Indolyl-Pyridone Derivatives Having Checkpoint Kinase 1 Inhibitory Activity CHEK1, CHEK2, RAD1 KDR 1088/4885MAOB 2102/4885MAOA 2771/4885
US-10696652-B2 Indolyl-pyridone derivatives having checkpoint kinase 1 inhibitory activity CHEK2, CHEK1, BUB1B KDR 1813/4885MAOB 3735/4885MAOA 3454/4885
US-20180244652-A1 Indolyl-Pyridone Derivatives Having Checkpoint Kinase 1 Inhibitory Activity CHEK2, CHEK1, BUB1B KDR 1813/4885MAOB 3735/4885MAOA 3454/4885

“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.