SCHEMBL948847

SCHEMBL948847

Cc1ccc(Cn2cc(C(=O)Nc3c[nH]c(=O)c(-c4cc5cc(OCCN6CCOCC6)ccc5[nH]4)c3)cn2)cc1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDR P35968 5/20 0.44
AURKA O14965 2/20 0.44
CHEK1 O14757 1/20 0.42
PDGFRB P09619 1/20 0.42
PDGFRA P16234 1/20 0.42
KLKB1 P03952 1/20 0.40
CHUK O15111 2/20 0.40
INSR P06213 2/20 0.40
MAPK8 P45983 2/20 0.40
CAMKK2 Q96RR4 2/20 0.40
AURKB Q96GD4 4/20 0.40
NTRK1 P04629 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
CCNA2 P20248 1/20 0.39
CDK2 P24941 1/20 0.39
TTK P33981 1/20 0.39
FLT3 P36888 1/20 0.39
NR3C1 P04150 1/20 0.39
RET P07949 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
SCHEMBL947827 0.97 CHEK1 (0.41) KDRAURKACHEK1PDGFRBPDGFRA
SCHEMBL951729 0.94 KDR (0.44) KDRAURKACHEK1INSRNTRK1
SCHEMBL949784 0.94 KDR (0.48) KDRAURKACHEK1PDGFRBPDGFRA
SCHEMBL948495 0.90 KDR (0.41) KDRAURKACHEK1INSRNTRK1
SCHEMBL948918 0.90 KDR (0.44) KDRAURKACHEK1
SCHEMBL950081 0.90 CHEK1 (0.51) CHEK1KLKB1
SCHEMBL948716 0.90 KDR (0.38) KDRCHEK1KLKB1
SCHEMBL950149 0.88 KDR (0.39) KDRAURKACHEK1KLKB1FLT3
SCHEMBL950171 0.88 KDR (0.48) KDRAURKACHEK1INSRFLT3
SCHEMBL950608 0.88 KDR (0.51) KDRAURKACHEK1PDGFRBPDGFRA

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 1088/4885AURKA 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-20110021498-A1 INDOLYL- PYRIDONE DERIVATIVES HAVING CHECKPOINT KINASE 1 INHIBITORY ACTIVITY CHEK1, CHEK2, BUB1 KDR 1967/4885AURKA 7/4885CHEK1 1/4885

“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.