SCHEMBL15580581

SCHEMBL15580581

CCN(CC)CCOc1ccc2[nH]c(-c3cc(NC(=O)c4cnn(Cc5ccc(C(C)(C)C)cc5)c4)c[nH]c3=O)cc2c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RIPK2 O43353 2/20 0.40
NOD2 Q9HC29 2/20 0.40
MAPT P10636 3/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
PLA2G1B P04054 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
ATG4B Q9Y4P1 1/20 0.38
MCHR1 Q99705 1/20 0.37
ALK Q9UM73 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.36
KDR P35968 2/20 0.36
ALDH1A1 P00352 1/20 0.36
KLKB1 P03952 3/20 0.35
CHRM2 P08172 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
POLB P06746 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
SCHEMBL949629 0.93 MAPT (0.38) RIPK2NOD2MAPTSMN1; SMN2PLA2G1B
SCHEMBL948538 0.92 ALDH1A1 (0.44) RIPK2NOD2MAPTSMN1; SMN2PLA2G1B
SCHEMBL12946250 0.92 SMN1; SMN2 (0.39) MAPTSMN1; SMN2PLA2G1BCYP1A2CYP3A4
SCHEMBL12946254 0.91 SMN1; SMN2 (0.38) RIPK2NOD2MAPTSMN1; SMN2PLA2G1B
SCHEMBL12946386 0.91 SMN1; SMN2 (0.38) RIPK2NOD2MAPTSMN1; SMN2PLA2G1B
SCHEMBL947940 0.90 MAPT (0.39) MAPTSMN1; SMN2PLA2G1BCYP1A2CYP3A4
SCHEMBL952153 0.89 ALDH1A1 (0.39) MAPTSMN1; SMN2PLA2G1BCYP1A2CYP3A4
SCHEMBL950927 0.89 ALDH1A1 (0.45) MAPTSMN1; SMN2PLA2G1BCYP1A2CYP3A4
SCHEMBL12946427 0.87 KDR (0.46) ALKKDRBUB1
SCHEMBL948293 0.87 KDR (0.42) ALKKDR

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 7 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

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 RIPK2 645/4885NOD2 3974/4885MAPT 4198/4885
US-20200361905-A1 Indolyl-Pyridone Derivatives Having Checkpoint Kinase 1 Inhibitory Activity CHEK2, CHEK1, BUB1B RIPK2 200/4885NOD2 3108/4885MAPT 2482/4885
US-20150099736-A1 Indolyl-Pyridone Derivatives Having Checkpoint Kinase 1 Inhibitory Activity CHEK1, CHEK2, RAD1 RIPK2 645/4885NOD2 3974/4885MAPT 4198/4885
US-10696652-B2 Indolyl-pyridone derivatives having checkpoint kinase 1 inhibitory activity CHEK2, CHEK1, BUB1B RIPK2 200/4885NOD2 3108/4885MAPT 2482/4885

“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.