SCHEMBL17182928

SCHEMBL17182928

Clc1cc(CC2CCOCC2)n2ncc(Br)c2n1

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ PDE4D Q08499 1/20 0.37
▸ GSK3B P49841 6/20 0.34
▸ CDK2 P24941 4/20 0.33
▸ CHEK1 O14757 2/20 0.33
▸ CCNA2 P20248 2/20 0.33
▸ CCNA1 P78396 2/20 0.33
▸ PIM1 P11309 1/20 0.32
▸ PIM2 Q9P1W9 1/20 0.32
▸ MALT1 Q9UDY8 1/20 0.32
▸ BRD4 O60885 1/20 0.31
▸ BAZ2A Q9UIF9 1/20 0.31
▸ MAPKAPK2 P49137 1/20 0.31
▸ CCNC P24863 1/20 0.30
▸ CDK8 P49336 1/20 0.30
▸ TTK P33981 1/20 0.30
▸ PIK3CD O00329 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
SCHEMBL17182866 0.80 PDE4D (0.40) PDE4DGSK3BCDK2CHEK1CCNA2
SCHEMBL15718407 0.80 PDE4D (0.42) PDE4DGSK3BCDK2PIM1PIM2
SCHEMBL17182839 0.78 GSK3B (0.39) PDE4DGSK3BCDK2MAPKAPK2
SCHEMBL17182832 0.75 GSK3B (0.39) PDE4DGSK3BCDK2PIM1PIM2
SCHEMBL17182815 0.75 GSK3B (0.39) PDE4DGSK3BCDK2PIM1PIM2
SCHEMBL17182817 0.75 GSK3B (0.39) PDE4DGSK3BCDK2PIM1PIM2
SCHEMBL17182921 0.75 PDE4D (0.35) PDE4DGSK3BCDK2CHEK1CCNA2
SCHEMBL15718900 0.74 TTK (0.33) PDE4DMALT1TTK
SCHEMBL12583210 0.74 CSNK2B (0.43) —
SCHEMBL17182871 0.74 GPR119 (0.33) PDE4DMALT1TTK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10106545-B2 Pyrazolopyrimidine compounds UNIVERSITY HEALTH NETWORK (CA) 2018-10-23 — — US disclosed
US-20170217966-A1 PYRAZOLOPYRIMIDINE COMPOUNDS UNIVERSITY HEALTH NETWORK (CA) 2017-08-03 — — US disclosed
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 (3 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 3725/4885CDK2 1483/4885
US-10106545-B2 Pyrazolopyrimidine compounds CYP3A5, CYP3A7, DPYD PDE4D 669/4885GSK3B 3890/4885CDK2 1430/4885
US-20170217966-A1 PYRAZOLOPYRIMIDINE COMPOUNDS CYP3A5, CYP3A7, DPYD PDE4D 669/4885GSK3B 3890/4885CDK2 1430/4885

“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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