SCHEMBL13655335

SCHEMBL13655335

NC1CCC(NCc2ccc3[nH]c(-c4n[nH]c5c4CCCC5)cc3c2)CC1

nearest known ligand 0.44

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PIP5K1C O60331 8/20 0.44
PARP1 P09874 7/20 0.40
ITK Q08881 2/20 0.36
CHEK1 O14757 3/20 0.35
CDK7 P50613 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
SCHEMBL13655343 0.87 CHEK1 (0.45) PIP5K1CPARP1ITKCHEK1CDK7
SCHEMBL13655340 0.82 VCP (0.39) PIP5K1CPARP1ITK
SCHEMBL13655325 0.80 MC4R (0.40) PIP5K1CCHEK1CDK7
SCHEMBL13655332 0.78 PIP5K1C (0.40) PIP5K1CCHEK1CDK7
SCHEMBL13655330 0.78 CLK2 (0.39) PIP5K1CCHEK1CDK7
SCHEMBL4165710 0.77 CHEK1 (0.61) PIP5K1CITKCHEK1CDK7
SCHEMBL27688758 0.76 CHEK1 (0.46) ITKCHEK1CDK7
SCHEMBL13655346 0.75 CHEK1 (0.46) PIP5K1CCHEK1CDK7
SCHEMBL13655345 0.75 CLK2 (0.42) PIP5K1CPARP1ITKCHEK1CDK7
SCHEMBL5054104 0.74 CHEK1 (0.62) ITKCHEK1CDK7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8784774-B2 Labeled molecular imaging agents and methods of use GENERAL ELECTRIC COMPANY (US) 2014-07-22 US disclosed
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 1995/4885PARP1 2590/4885ITK 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.