SCHEMBL15520772

SCHEMBL15520772

CN(C)CCN(C)Cc1ccc2[nH]c(-c3cc(N)c[nH]c3=O)cc2c1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.39
ADORA2A P29274 1/20 0.38
ADORA1 P30542 1/20 0.38
KDR P35968 1/20 0.38
TSHR P16473 3/20 0.36
ALDH1A1 P00352 2/20 0.36
ATM Q13315 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
TTK P33981 1/20 0.36
AURKB Q96GD4 1/20 0.36
INCENP Q9NQS7 1/20 0.36
CHEK1 O14757 8/20 0.35
FFAR1 O14842 4/20 0.34
FFAR4 Q5NUL3 1/20 0.33
KDM4E B2RXH2 1/20 0.33
KMT2A Q03164 1/20 0.33

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
SCHEMBL15520167 0.91 PARP1 (0.40) PARP1KDRTSHRALDH1A1CHEK1
SCHEMBL16318360 0.89 KDR (0.51) PARP1KDRCHEK1FFAR1
SCHEMBL15520686 0.84 FFAR1 (0.37) PARP1KDRCHEK1FFAR1FFAR4
SCHEMBL15519938 0.81 PNP (0.39) PARP1TSHRALDH1A1NPSR1CHEK1
SCHEMBL15520725 0.80 HRH4 (0.40) PARP1TSHRALDH1A1NPSR1CHEK1
SCHEMBL15520330 0.80 KDR (0.54) PARP1ADORA2AADORA1KDRALDH1A1
SCHEMBL4025707 0.79 CHEK1 (0.32) KDRTTKAURKBINCENPCHEK1
SCHEMBL15520318 0.79 KDR (0.51) PARP1KDRALDH1A1
SCHEMBL15520530 0.78 CHEK1 (0.53) CHEK1
SCHEMBL22134355 0.78 CHEK1 (0.45) PARP1KDRTSHRALDH1A1CHEK1

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 6 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-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 (4 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 PARP1 162/4885ADORA2A 2685/4885ADORA1 1251/4885
US-20200361905-A1 Indolyl-Pyridone Derivatives Having Checkpoint Kinase 1 Inhibitory Activity CHEK2, CHEK1, BUB1B PARP1 843/4885ADORA2A 1926/4885ADORA1 1921/4885
US-10696652-B2 Indolyl-pyridone derivatives having checkpoint kinase 1 inhibitory activity CHEK2, CHEK1, BUB1B PARP1 843/4885ADORA2A 1926/4885ADORA1 1921/4885
US-20180244652-A1 Indolyl-Pyridone Derivatives Having Checkpoint Kinase 1 Inhibitory Activity CHEK2, CHEK1, BUB1B PARP1 843/4885ADORA2A 1926/4885ADORA1 1921/4885

“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.