SCHEMBL13655336

SCHEMBL13655336

c1cc2[nH]c(-c3n[nH]c4c3CCCC4)cc2cc1CNCCN1CCOCC1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 13/20 0.46
CDK7 P50613 9/20 0.46
PARP1 P09874 3/20 0.44
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 1/20 0.38
ALDH1A1 P00352 1/20 0.38
MAPT P10636 1/20 0.38
CASP1 P29466 1/20 0.38
CASP7 P55210 1/20 0.38
KMT2A Q03164 1/20 0.38
HSD17B10 Q99714 1/20 0.38
PIP5K1C O60331 1/20 0.38
TNKS2 Q9H2K2 1/20 0.38

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
SCHEMBL13655326 0.86 CHEK1 (0.60) CHEK1CDK7
SCHEMBL13655325 0.83 MC4R (0.40) CHEK1CDK7KDM4EMEN1ALDH1A1
SCHEMBL13655332 0.83 PIP5K1C (0.40) CHEK1CDK7KDM4EMEN1ALDH1A1
SCHEMBL13655346 0.82 CHEK1 (0.46) CHEK1CDK7PIP5K1C
SCHEMBL13655330 0.79 CLK2 (0.39) CHEK1CDK7PIP5K1C
SCHEMBL13655342 0.79 TERT (0.41) CHEK1CDK7PARP1KDM4EMEN1
SCHEMBL13655331 0.78 KDM4E (0.43) CHEK1CDK7KDM4EMEN1ALDH1A1
SCHEMBL13655343 0.76 CHEK1 (0.45) CHEK1CDK7PARP1PIP5K1C
SCHEMBL13655345 0.72 CLK2 (0.42) CHEK1CDK7PARP1ALDH1A1MAPT
SCHEMBL13655335 0.72 PIP5K1C (0.44) CHEK1CDK7PARP1PIP5K1C

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 CHEK1 1733/4885CDK7 281/4885PARP1 2590/4885

“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.