SCHEMBL4292026

SCHEMBL4292026

COC(=O)c1cc2ccncc2c2cc(Cl)c(CO)cc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.42
HTT P42858 1/20 0.42
PIM1 P11309 1/20 0.41
PIM2 Q9P1W9 1/20 0.41
MAPK8 P45983 1/20 0.40
MAPK9 P45984 1/20 0.40
MAPK10 P53779 1/20 0.40
ALDH1A1 P00352 3/20 0.40
GLA P06280 1/20 0.40
GAA P10253 1/20 0.40
NR4A2 P43354 1/20 0.38
CSNK2A2 P19784 1/20 0.38
CSNK2B P67870 1/20 0.38
PLA2G2A P14555 1/20 0.37
HPGD P15428 2/20 0.37
NPSR1 Q6W5P4 1/20 0.37
CYP46A1 Q9Y6A2 1/20 0.36
CSNK2A1 P68400 2/20 0.36
TSHR P16473 1/20 0.35
KMT2A Q03164 1/20 0.35

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
SCHEMBL4290175 0.84 KDM4E (0.43) KDM4EHTTPIM1PIM2ALDH1A1
SCHEMBL4296278 0.81 KDM4E (0.40) KDM4EHTTPIM1PIM2ALDH1A1
SCHEMBL4297119 0.81 KDM4E (0.39) KDM4EHTTPIM1PIM2ALDH1A1
SCHEMBL4300956 0.79 CHEK1 (0.53) KDM4EHTTPIM1PIM2ALDH1A1
SCHEMBL13659554 0.79 KDM4E (0.67) KDM4EHTTPIM1PIM2MAPK8
SCHEMBL4293070 0.77 KDM4E (0.38) KDM4EALDH1A1NR4A2PLA2G2AHPGD
SCHEMBL4288029 0.74 CHEK1 (0.53) KDM4EHTTPIM1PIM2ALDH1A1
SCHEMBL4297736 0.73 CHEK1 (0.67) KDM4ENR4A2
SCHEMBL28613135 0.71 ALDH1A1 (0.60) KDM4EHTTMAPK8MAPK9MAPK10
SCHEMBL23043865 0.69 KDM4E (0.57) KDM4EALDH1A1GLAGAACYP46A1

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-20090258852-A1 Inhibitors of Checkpoint Kinases MERCK SHARP & DOHME CORP. 2009-10-15 US disclosed
US-20090258852-A1 Inhibitors of Checkpoint Kinases MERCK SHARP & DOHME CORP. 2009-10-15 US disclosed
US-20090258852-A1 Inhibitors of Checkpoint Kinases MERCK SHARP & DOHME CORP. 2009-10-15 US disclosed
EP-1904449-A2 INHIBITORS OF CHECKPOINT KINASES Merck & Co., Inc. (US) 2008-04-02 EP disclosed
WO-2007008502-A2 INHIBITORS OF CHECKPOINT KINASES MERCK & CO., INC. (US) 2007-01-18 WO disclosed
WO-2007008502-A2 INHIBITORS OF CHECKPOINT KINASES MERCK & CO., INC. (US) 2007-01-18 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 (1 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-20090258852-A1 Inhibitors of Checkpoint Kinases CHEK1, CHEK2, CDKN1A KDM4E 366/4885HTT 3947/4885PIM1 1168/4885

“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.