SCHEMBL13655331

SCHEMBL13655331

CC(=O)NCCNCc1ccc2[nH]c(-c3n[nH]c4c3CCCC4)cc2c1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.43
ALDH1A1 P00352 2/20 0.43
MAPT P10636 1/20 0.43
VSIR Q9H7M9 4/20 0.42
PIP5K1C O60331 5/20 0.41
CHEK1 O14757 6/20 0.41
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HPGD P15428 1/20 0.38
CASP6 P55212 1/20 0.38
CDK7 P50613 3/20 0.38
ITK Q08881 1/20 0.37
PDCD1 Q15116 1/20 0.36
CD274 Q9NZQ7 1/20 0.36

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
SCHEMBL13655332 0.86 PIP5K1C (0.40) KDM4EALDH1A1MAPTPIP5K1CCHEK1
SCHEMBL13655325 0.84 MC4R (0.40) KDM4EALDH1A1MAPTVSIRPIP5K1C
SCHEMBL13655342 0.82 TERT (0.41) KDM4EALDH1A1MAPTPIP5K1CCHEK1
SCHEMBL13655344 0.82 CHEK1 (0.37) KDM4EALDH1A1MAPTVSIRPIP5K1C
SCHEMBL13655330 0.80 CLK2 (0.39) PIP5K1CCHEK1SMN1; SMN2CDK7
SCHEMBL13655336 0.78 CHEK1 (0.46) KDM4EALDH1A1MAPTPIP5K1CCHEK1
SCHEMBL13655346 0.78 CHEK1 (0.46) PIP5K1CCHEK1CDK7
SCHEMBL13655345 0.75 CLK2 (0.42) ALDH1A1MAPTPIP5K1CCHEK1HPGD
SCHEMBL13655343 0.74 CHEK1 (0.45) PIP5K1CCHEK1CDK7ITK
SCHEMBL13655335 0.73 PIP5K1C (0.44) PIP5K1CCHEK1CDK7ITK

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 KDM4E 814/4885ALDH1A1 425/4885MAPT 1/4885

“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.