SCHEMBL13655348

SCHEMBL13655348

CN1CCC(N(C)Cc2ccc3[nH]c(-c4n[nH]c5c4CCCC5)cc3c2)CC1

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PIP5K1C O60331 3/20 0.40
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
PARP1 P09874 2/20 0.38
TSHR P16473 1/20 0.38
CHEK1 O14757 9/20 0.37
CDK7 P50613 6/20 0.36
ITK Q08881 1/20 0.36
LTA4H P09960 1/20 0.36
MAP4K4 O95819 1/20 0.35

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
SCHEMBL13655345 0.83 CLK2 (0.42) PIP5K1CALDH1A1PARP1CHEK1CDK7
SCHEMBL13655343 0.82 CHEK1 (0.45) PIP5K1CPARP1CHEK1CDK7ITK
SCHEMBL13655347 0.79 ITK (0.39) PIP5K1CPARP1CHEK1CDK7ITK
SCHEMBL13655326 0.73 CHEK1 (0.60) CHEK1CDK7
SCHEMBL1622811 0.72 ITK (0.48) PARP1CHEK1CDK7ITK
SCHEMBL13655342 0.72 TERT (0.41) PIP5K1CKDM4EALDH1A1PARP1CHEK1
SCHEMBL13655346 0.71 CHEK1 (0.46) PIP5K1CCHEK1CDK7
SCHEMBL13655335 0.70 PIP5K1C (0.44) PIP5K1CPARP1CHEK1CDK7ITK
SCHEMBL13655336 0.70 CHEK1 (0.46) PIP5K1CKDM4EALDH1A1PARP1CHEK1
SCHEMBL13655332 0.69 PIP5K1C (0.40) PIP5K1CKDM4EALDH1A1CHEK1CDK7

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 1995/4885KDM4E 814/4885ALDH1A1 425/4885

“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.