SCHEMBL13655343

SCHEMBL13655343

CN1CCC(NCc2ccc3[nH]c(-c4n[nH]c5c4CCCC5)cc3c2)CC1

nearest known ligand 0.45

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 5/20 0.45
PIP5K1C O60331 5/20 0.45
ITK Q08881 2/20 0.44
VCP P55072 7/20 0.37
CDK7 P50613 2/20 0.37
PARP1 P09874 1/20 0.37

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
SCHEMBL13655335 0.87 PIP5K1C (0.44) CHEK1PIP5K1CITKCDK7PARP1
SCHEMBL13655348 0.82 PIP5K1C (0.40) CHEK1PIP5K1CITKCDK7PARP1
SCHEMBL13655346 0.78 CHEK1 (0.46) CHEK1PIP5K1CCDK7
SCHEMBL13655332 0.76 PIP5K1C (0.40) CHEK1PIP5K1CCDK7
SCHEMBL13655330 0.76 CLK2 (0.39) CHEK1PIP5K1CCDK7
SCHEMBL13655325 0.76 MC4R (0.40) CHEK1PIP5K1CCDK7
SCHEMBL13655336 0.76 CHEK1 (0.46) CHEK1PIP5K1CCDK7PARP1
SCHEMBL13655345 0.75 CLK2 (0.42) CHEK1PIP5K1CITKCDK7PARP1
SCHEMBL13655342 0.74 TERT (0.41) CHEK1PIP5K1CITKCDK7PARP1
SCHEMBL13655331 0.74 KDM4E (0.43) CHEK1PIP5K1CITKCDK7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090247504-A1 Indazole Derivatives for Treatment of Alzheimer's Disease MERCK SHARP & DOHME LIMITED (GB) 2009-10-01 US disclosed
US-20090247504-A1 Indazole Derivatives for Treatment of Alzheimer's Disease MERCK SHARP & DOHME LIMITED (GB) 2009-10-01 US 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-20090247504-A1 Indazole Derivatives for Treatment of Alzheimer's Disease MAPT, PSEN2, PSEN1 CHEK1 1733/4885PIP5K1C 1995/4885ITK 1958/4885

“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.