SCHEMBL4294451

SCHEMBL4294451

O=C(O)c1cncc(-c2cnc(Cl)s2)c1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 4/20 0.50
MKNK1 Q9BUB5 1/20 0.45
MKNK2 Q9HBH9 1/20 0.45
CHEK1 O14757 4/20 0.43
KDM4E B2RXH2 3/20 0.42
ALDH1A1 P00352 3/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
POLB P06746 1/20 0.42
LMNA P02545 1/20 0.42
DDO Q99489 1/20 0.42
CSNK2A1 P68400 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.40
XDH P47989 1/20 0.40
KMO O15229 2/20 0.40
CDK7 P50613 2/20 0.39
TBXA2R P21731 1/20 0.38
PTGER1 P34995 1/20 0.38

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
SCHEMBL13701561 0.81 CSNK2A1 (0.65) HCAR2MKNK1MKNK2CHEK1KDM4E
Hydrochloric Acid SCHEMBL4295799 0.80 CSNK2A1 (0.63) HCAR2MKNK1MKNK2CHEK1KDM4E
Hydrochloric Acid SCHEMBL4294415 0.80 CSNK2A1 (0.63) HCAR2MKNK1MKNK2CHEK1KDM4E
SCHEMBL3181717 0.75 MKNK1 (0.69) HCAR2MKNK1MKNK2KDM4EALDH1A1
SCHEMBL4297145 0.75 CHEK1 (0.71) CHEK1KDM4EALDH1A1MEN1KMT2A
SCHEMBL4301212 0.74 CHEK1 (0.72) CHEK1CDK7
SCHEMBL4293171 0.74 CHEK1 (0.51) CHEK1ALDH1A1MEN1KMT2AXDH
SCHEMBL4291498 0.73 CYP2A6 (0.42) HCAR2CHEK1POLBLMNACDK7
SCHEMBL25098762 0.73 HCAR2 (0.47) HCAR2MKNK1MKNK2CHEK1CSNK2A1
SCHEMBL4291627 0.71 CSNK2A1 (0.48) KDM4EALDH1A1CSNK2A1SMN1; SMN2

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090233896-A1 Inhibitors of checkpoint kinases MERCK SHARP & DOHME CORP. 2009-09-17 US disclosed
US-20090233896-A1 Inhibitors of checkpoint kinases MERCK SHARP & DOHME CORP. 2009-09-17 US disclosed
US-20090233896-A1 Inhibitors of checkpoint kinases MERCK SHARP & DOHME CORP. 2009-09-17 US disclosed
EP-1893607-A2 INHIBITORS OF CHECKPOINT KINASES Merck & Co., Inc. (US) 2008-03-05 EP disclosed
WO-2006135604-A2 INHIBITORS OF CHECKPOINT KINASES MERCK & CO., INC. (US) 2006-12-21 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-20090233896-A1 Inhibitors of checkpoint kinases CHEK1, CHEK2, PLK1 HCAR2 4669/4885MKNK1 70/4885MKNK2 104/4885

“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.