SCHEMBL17182883

SCHEMBL17182883

CC(C)(C)C(c1cc(Cl)nc2c(Br)cnn12)C1CCOCC1

nearest known ligand 0.34

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ PDE4D Q08499 1/20 0.34
▸ GSK3B P49841 1/20 0.31
▸ CHEK1 O14757 2/20 0.30
▸ CCNA2 P20248 2/20 0.30
▸ CDK2 P24941 2/20 0.30
▸ CCNA1 P78396 2/20 0.30
▸ MEN1 O00255 1/20 0.30
▸ KMT2A Q03164 1/20 0.30

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
SCHEMBL17182868 0.77 CDK2 (0.31) PDE4DGSK3BCDK2
SCHEMBL17182914 0.76 PDE4D (0.32) PDE4DCHEK1CCNA2CDK2CCNA1
SCHEMBL17182882 0.73 PDE4D (0.34) PDE4DGSK3BCHEK1CCNA2CDK2
SCHEMBL17182928 0.73 PDE4D (0.37) PDE4DGSK3BCHEK1CCNA2CDK2
SCHEMBL17182866 0.73 PDE4D (0.40) PDE4DGSK3BCHEK1CCNA2CDK2
SCHEMBL17182839 0.71 GSK3B (0.39) PDE4DGSK3BCDK2MEN1KMT2A
SCHEMBL17182921 0.71 PDE4D (0.35) PDE4DGSK3BCHEK1CCNA2CDK2
SCHEMBL15718407 0.70 PDE4D (0.42) PDE4DGSK3BCDK2
SCHEMBL17182871 0.70 GPR119 (0.33) PDE4D
SCHEMBL15718900 0.68 TTK (0.33) PDE4D

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-9573954-B2 Pyrazolopyrimidine compounds UNIVERSITY HEALTH NETWORK (CA) 2017-02-21 — — US disclosed
US-20150299203-A1 PYRAZOLOPYRIMIDINE COMPOUNDS UNIVERSITY HEALTH NETWORK (CA) 2015-10-22 — — 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-20150299203-A1 PYRAZOLOPYRIMIDINE COMPOUNDS CYP3A5, CYP3A7, DPYD PDE4D 520/4885GSK3B 3725/4885CHEK1 3400/4885

“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.

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