SCHEMBL4294028

SCHEMBL4294028

Cn1cc(-c2ccc3c(C(F)CN)cc4cc[nH]c(=O)c4c3c2)cn1

nearest known ligand 0.66

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 9/20 0.66
PRMT5 O14744 3/20 0.48
WDR77 Q9BQA1 3/20 0.48
ACVR1 Q04771 1/20 0.43
LOXL2 Q9Y4K0 1/20 0.41
GPR39 O43194 1/20 0.41
MET P08581 1/20 0.40
AURKA O14965 1/20 0.40
TTK P33981 1/20 0.40
AURKB Q96GD4 1/20 0.40
INCENP Q9NQS7 1/20 0.40
BRD4 O60885 1/20 0.38
JAK2 O60674 1/20 0.38
JAK3 P52333 1/20 0.38
LRRK2 Q5S007 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
SCHEMBL4295214 0.81 CHEK1 (0.67) CHEK1
SCHEMBL4294744 0.80 CHEK1 (1.00) CHEK1PRMT5WDR77
SCHEMBL4291214 0.76 CHEK1 (0.61) CHEK1
SCHEMBL4297274 0.74 CHEK1 (0.61) CHEK1PRMT5WDR77ACVR1MET
SCHEMBL2456504 0.74 CHEK1 (0.59) CHEK1PRMT5WDR77ACVR1LOXL2
SCHEMBL2458886 0.73 CHEK1 (0.56) CHEK1PRMT5WDR77ACVR1GPR39
SCHEMBL12333677 0.72 CHEK1 (0.62) CHEK1PRMT5WDR77ACVR1JAK2
SCHEMBL2458329 0.71 CHEK1 (0.63) CHEK1PRMT5WDR77ACVR1JAK2
SCHEMBL2458102 0.71 CHEK1 (0.55) CHEK1PRMT5WDR77ACVR1MET
SCHEMBL3620243 0.70 CHEK1 (0.51) CHEK1PRMT5WDR77ACVR1MET

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-20090258852-A1 Inhibitors of Checkpoint Kinases MERCK SHARP & DOHME CORP. 2009-10-15 US claimed
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 CHEK1 1/4885PRMT5 820/4885WDR77 871/4885

“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.