SCHEMBL4287635

SCHEMBL4287635

O=c1[nH]cc(-c2ccccc2)c2ccc3ccc(Cl)cc3c12

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.55
CHEK1 O14757 3/20 0.52
KMT2A Q03164 4/20 0.47
MEN1 O00255 3/20 0.47
RXFP1 Q9HBX9 1/20 0.47
JAK2 O60674 1/20 0.46
ELANE P08246 1/20 0.45
ROCK2 O75116 2/20 0.42
NAMPT P43490 1/20 0.42
TYMS P04818 3/20 0.41
KDM4E B2RXH2 3/20 0.41
CASP1 P29466 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
HSD17B10 Q99714 1/20 0.41
MAP4K4 O95819 1/20 0.40
LCK P06239 1/20 0.40
CSF1R P07333 1/20 0.40
PIM1 P11309 1/20 0.40
RPS6KB1 P23443 1/20 0.40
CDK2 P24941 1/20 0.40

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
SCHEMBL4287646 0.86 SERPINE1 (0.45) PARP1CHEK1MAP4K4
SCHEMBL4287632 0.86 CHEK1 (0.45) PARP1CHEK1ROCK2NAMPTTYMS
SCHEMBL4291937 0.86 MAP2K4 (0.47) PARP1CHEK1ROCK2NAMPTKDM4E
SCHEMBL4294704 0.85 TDO2 (0.46) CHEK1TYMSKDM4ENPSR1MAPK1
SCHEMBL4298816 0.84 CHEK1 (0.48) PARP1CHEK1ROCK2NAMPTTYMS
SCHEMBL4296220 0.84 CHEK1 (0.50) PARP1CHEK1ROCK2NAMPTTYMS
SCHEMBL4296952 0.83 CHEK1 (0.44) CHEK1KDM4E
SCHEMBL4294755 0.83 CHEK1 (0.44) PARP1CHEK1ROCK2LCKCSF1R
SCHEMBL4298961 0.82 CHEK1 (0.53) CHEK1ROCK2TYMS
SCHEMBL4295944 0.79 SMN1; SMN2 (0.45) CHEK1KMT2AMEN1MAPK1

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-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
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 PARP1 193/4885CHEK1 1/4885KMT2A 348/4885

“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.