SCHEMBL13655339

SCHEMBL13655339

c1cncc(C2CCc3[nH]nc(-c4cc5cc(CN6CCOCC6)ccc5[nH]4)c3C2)c1

nearest known ligand 0.49

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 19/20 0.49
CDK7 P50613 14/20 0.49
CLK2 P49760 1/20 0.39
CLK3 P49761 1/20 0.39
DYRK1A Q13627 1/20 0.39

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 0.80 CHEK1 (0.60) CHEK1CDK7
SCHEMBL13655338 0.80 CLK2 (0.36) CHEK1CLK2CLK3DYRK1A
SCHEMBL13655340 0.79 VCP (0.39) CLK2CLK3DYRK1A
SCHEMBL13655344 0.76 CHEK1 (0.37) CHEK1CLK2CLK3DYRK1A
SCHEMBL13655149 0.72 CHEK1 (0.68) CHEK1CDK7
SCHEMBL13655185 0.72 CHEK1 (0.68) CHEK1CDK7
SCHEMBL13655287 0.69 CHEK1 (0.68) CHEK1CDK7CLK2CLK3DYRK1A
SCHEMBL13655336 0.68 CHEK1 (0.46) CHEK1CDK7
SCHEMBL13655147 0.68 CHEK1 (0.75) CHEK1CDK7
SCHEMBL13655139 0.68 CHEK1 (0.75) 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 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 281/4885CLK2 685/4885

“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.