SCHEMBL15520384

SCHEMBL15520384

CC(C)(COc1ccc2[nH]c(-c3cc(N)c[nH]c3=O)cc2c1)CN1CCOCC1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDR P35968 10/20 0.45
AURKA O14965 5/20 0.45
CHEK1 O14757 1/20 0.42
KDM4E B2RXH2 6/20 0.39
ALDH1A1 P00352 6/20 0.39
RCE1 Q9Y256 1/20 0.39
PDGFRB P09619 1/20 0.38
PDGFRA P16234 1/20 0.38
HRH3 Q9Y5N1 2/20 0.37
MAPT P10636 1/20 0.36
HPGD P15428 3/20 0.36
HSD17B10 Q99714 2/20 0.36
LMNA P02545 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
RXFP1 Q9HBX9 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34

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
SCHEMBL15520214 0.92 KDR (0.48) KDRAURKACHEK1HRH3
SCHEMBL15520144 0.91 KDR (0.49) KDRAURKACHEK1PDGFRBPDGFRA
SCHEMBL15520720 0.85 CHEK1 (0.40) KDRAURKACHEK1
SCHEMBL15520023 0.85 CHEK1 (0.40) KDRAURKACHEK1
SCHEMBL15520655 0.85 KDR (0.38) KDRAURKACHEK1KDM4EALDH1A1
SCHEMBL15520662 0.84 KDR (0.61) KDRAURKACHEK1KDM4EALDH1A1
SCHEMBL15520540 0.84 KDR (0.56) KDRAURKACHEK1ALDH1A1PDGFRB
SCHEMBL4020830 0.81 KDR (0.42) KDRAURKAKDM4EALDH1A1PDGFRB
SCHEMBL15520380 0.80 KDR (0.43) KDRAURKACHEK1KDM4EALDH1A1
SCHEMBL15520317 0.79 KDR (0.39) KDRAURKAKDM4EALDH1A1PDGFRB

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 1088/4885AURKA 7/4885CHEK1 1/4885
US-20200361905-A1 Indolyl-Pyridone Derivatives Having Checkpoint Kinase 1 Inhibitory Activity CHEK2, CHEK1, BUB1B KDR 1813/4885AURKA 11/4885CHEK1 2/4885
US-20150099736-A1 Indolyl-Pyridone Derivatives Having Checkpoint Kinase 1 Inhibitory Activity CHEK1, CHEK2, RAD1 KDR 1088/4885AURKA 7/4885CHEK1 1/4885
US-10696652-B2 Indolyl-pyridone derivatives having checkpoint kinase 1 inhibitory activity CHEK2, CHEK1, BUB1B KDR 1813/4885AURKA 11/4885CHEK1 2/4885
US-20180244652-A1 Indolyl-Pyridone Derivatives Having Checkpoint Kinase 1 Inhibitory Activity CHEK2, CHEK1, BUB1B KDR 1813/4885AURKA 11/4885CHEK1 2/4885

“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.