SCHEMBL948893

SCHEMBL948893

CCN(CC)Cc1ccc2[nH]c(-c3cc(NC(=O)c4cnn(Cc5ccc(C)cc5)c4)c[nH]c3=O)cc2c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KLKB1 P03952 11/20 0.40
CHEK1 O14757 3/20 0.37
MAPT P10636 2/20 0.36
CYP2C19 P33261 2/20 0.36
LMNA P02545 1/20 0.36
GFER P55789 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
RPS6KA3 P51812 2/20 0.36
RPS6KA2 Q15349 1/20 0.36
RPS6KA1 Q15418 1/20 0.36
RPS6KA6 Q9UK32 1/20 0.36
ALDH1A1 P00352 1/20 0.36
POLB P06746 1/20 0.36
PLA2G1B P04054 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
ATG4B Q9Y4P1 1/20 0.36

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
SCHEMBL15580585 0.91 KLKB1 (0.37) KLKB1CHEK1MAPTCYP2C19RPS6KA3
SCHEMBL949246 0.89 SMN1; SMN2 (0.38) KLKB1CHEK1MAPTCYP2C19LMNA
SCHEMBL947608 0.89 RPS6KA2 (0.41) RPS6KA3RPS6KA2RPS6KA1RPS6KA6ALDH1A1
SCHEMBL951027 0.89 KLKB1 (0.38) KLKB1CHEK1RPS6KA3RPS6KA2RPS6KA1
SCHEMBL949629 0.89 MAPT (0.38) KLKB1MAPTCYP2C19LMNAALDH1A1
SCHEMBL947940 0.88 MAPT (0.39) KLKB1MAPTCYP2C19RPS6KA2ALDH1A1
SCHEMBL12946245 0.87 CHEK1 (0.48) CHEK1
SCHEMBL950898 0.87 KLKB1 (0.45) KLKB1MAPTLMNARPS6KA3RPS6KA2
SCHEMBL948841 0.87 CHEK1 (0.51) KLKB1CHEK1
SCHEMBL948816 0.86 RPS6KA2 (0.38) KLKB1RPS6KA3RPS6KA2RPS6KA1RPS6KA6

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 KLKB1 2234/4885CHEK1 1/4885MAPT 4198/4885
US-20200361905-A1 Indolyl-Pyridone Derivatives Having Checkpoint Kinase 1 Inhibitory Activity CHEK2, CHEK1, BUB1B KLKB1 884/4885CHEK1 2/4885MAPT 2482/4885
US-20150099736-A1 Indolyl-Pyridone Derivatives Having Checkpoint Kinase 1 Inhibitory Activity CHEK1, CHEK2, RAD1 KLKB1 2234/4885CHEK1 1/4885MAPT 4198/4885
US-10696652-B2 Indolyl-pyridone derivatives having checkpoint kinase 1 inhibitory activity CHEK2, CHEK1, BUB1B KLKB1 884/4885CHEK1 2/4885MAPT 2482/4885
US-20110021498-A1 INDOLYL- PYRIDONE DERIVATIVES HAVING CHECKPOINT KINASE 1 INHIBITORY ACTIVITY CHEK1, CHEK2, BUB1 KLKB1 1071/4885CHEK1 1/4885MAPT 4536/4885

“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.