SCHEMBL13655332

SCHEMBL13655332

OCCNCc1ccc2[nH]c(-c3n[nH]c4c3CCCC4)cc2c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIP5K1C O60331 5/20 0.40
CHEK1 O14757 10/20 0.40
CDK7 P50613 6/20 0.39
CASP1 P29466 2/20 0.36
TP53 P04637 1/20 0.36
ALDH1A1 P00352 2/20 0.34
MAPT P10636 2/20 0.34
LMNA P02545 1/20 0.34
MAPK10 P53779 1/20 0.34
HPGD P15428 1/20 0.34
HTT P42858 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
KDM4E B2RXH2 1/20 0.34
MEN1 O00255 1/20 0.34
USP2 O75604 1/20 0.34
HSP90AA1 P07900 1/20 0.34
HSP90AB1 P08238 1/20 0.34
ALOX15 P16050 1/20 0.34
CASP7 P55210 1/20 0.34
KMT2A Q03164 1/20 0.34

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
SCHEMBL13655325 0.89 MC4R (0.40) PIP5K1CCHEK1CDK7CASP1ALDH1A1
SCHEMBL13655342 0.87 TERT (0.41) PIP5K1CCHEK1CDK7CASP1ALDH1A1
SCHEMBL13655331 0.86 KDM4E (0.43) PIP5K1CCHEK1CDK7ALDH1A1MAPT
SCHEMBL13655330 0.85 CLK2 (0.39) PIP5K1CCHEK1CDK7LMNAMAPK10
SCHEMBL13655336 0.83 CHEK1 (0.46) PIP5K1CCHEK1CDK7CASP1ALDH1A1
SCHEMBL13655346 0.82 CHEK1 (0.46) PIP5K1CCHEK1CDK7
SCHEMBL13655345 0.78 CLK2 (0.42) PIP5K1CCHEK1CDK7ALDH1A1MAPT
SCHEMBL13655335 0.78 PIP5K1C (0.44) PIP5K1CCHEK1CDK7
SCHEMBL13655343 0.76 CHEK1 (0.45) PIP5K1CCHEK1CDK7
SCHEMBL13655326 0.74 CHEK1 (0.60) CHEK1CDK7

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 PIP5K1C 1995/4885CHEK1 1733/4885CDK7 281/4885

“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.