SCHEMBL950895

SCHEMBL950895

O=C(Nc1cnn(Cc2ccc(Cl)cc2)c1)c1c[nH]c(=O)c(-c2cc3ccccc3[nH]2)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.49
KMT2A Q03164 4/20 0.48
MAPT P10636 3/20 0.48
MEN1 O00255 3/20 0.48
CYP1A2 P05177 2/20 0.48
CYP2C9 P11712 2/20 0.48
CYP2C19 P33261 2/20 0.48
KDM4E B2RXH2 1/20 0.47
ITK Q08881 3/20 0.46
LMNA P02545 2/20 0.44
PLA2G1B P04054 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
ATG4B Q9Y4P1 1/20 0.43
HTT P42858 1/20 0.42
ALDH1A1 P00352 1/20 0.42
NAMPT P43490 1/20 0.42
GAA P10253 1/20 0.42
TP53 P04637 1/20 0.42
HPGD P15428 1/20 0.42

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
SCHEMBL952163 0.94 ITK (0.51) ITKALDH1A1NAMPTRPS6KA2SCD
SCHEMBL950985 0.93 ITK (0.44) SMN1; SMN2MAPTCYP1A2CYP2C9CYP2C19
SCHEMBL949043 0.93 ALDH1A1 (0.47) SMN1; SMN2KMT2AMAPTMEN1KDM4E
SCHEMBL949336 0.92 RPS6KA2 (0.46) ITKALDH1A1RPS6KA2SCDSCD5
SCHEMBL948498 0.91 SCD (0.47) SMN1; SMN2KMT2AMAPTMEN1CYP1A2
SCHEMBL948933 0.91 L3MBTL1 (0.49) SMN1; SMN2MAPTCYP1A2CYP2C9CYP2C19
SCHEMBL949621 0.90 ITK (0.55) SMN1; SMN2MAPTCYP1A2CYP2C9CYP2C19
SCHEMBL22166302 0.90 ITK (0.42) SMN1; SMN2MAPTCYP1A2CYP2C9CYP2C19
SCHEMBL951873 0.90 KMT2A (0.44) SMN1; SMN2KMT2AMAPTMEN1CYP1A2
SCHEMBL19493241 0.90 ITK (0.42) SMN1; SMN2MAPTCYP1A2CYP2C9CYP2C19

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 9 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
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 SMN1; SMN2 3588/4885KMT2A 1373/4885MAPT 4198/4885
US-20200361905-A1 Indolyl-Pyridone Derivatives Having Checkpoint Kinase 1 Inhibitory Activity CHEK2, CHEK1, BUB1B SMN1; SMN2 2232/4885KMT2A 1439/4885MAPT 2482/4885
US-20150099736-A1 Indolyl-Pyridone Derivatives Having Checkpoint Kinase 1 Inhibitory Activity CHEK1, CHEK2, RAD1 SMN1; SMN2 3588/4885KMT2A 1373/4885MAPT 4198/4885
US-10696652-B2 Indolyl-pyridone derivatives having checkpoint kinase 1 inhibitory activity CHEK2, CHEK1, BUB1B SMN1; SMN2 2232/4885KMT2A 1439/4885MAPT 2482/4885
US-20110021498-A1 INDOLYL- PYRIDONE DERIVATIVES HAVING CHECKPOINT KINASE 1 INHIBITORY ACTIVITY CHEK1, CHEK2, BUB1 SMN1; SMN2 3670/4885KMT2A 1636/4885MAPT 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.