SCHEMBL17182866

SCHEMBL17182866

Clc1cc(OCC2CCOCC2)n2ncc(Br)c2n1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE4D Q08499 2/20 0.40
▸ ATXN2 Q99700 1/20 0.35
▸ GRM4 Q14833 4/20 0.32
▸ SCN9A Q15858 1/20 0.32
▸ DHFR P00374 1/20 0.32
▸ DCPS Q96C86 1/20 0.32
▸ CCNK O75909 1/20 0.32
▸ CDK9 P50750 1/20 0.32
▸ GABRP O00591 1/20 0.32
▸ GABRD O14764 1/20 0.32
▸ GABRA1 P14867 1/20 0.32
▸ GABRB1 P18505 1/20 0.32
▸ GABRG2 P18507 1/20 0.32
▸ GABRB3 P28472 1/20 0.32
▸ GABRA5 P31644 1/20 0.32
▸ GABRA3 P34903 1/20 0.32
▸ GABRA2 P47869 1/20 0.32
▸ GABRB2 P47870 1/20 0.32
▸ GABRA4 P48169 1/20 0.32
▸ GABRE P78334 1/20 0.32

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
SCHEMBL17182972 0.80 TTK (0.41) GRM4CHEK1CCNA2CDK2CCNA1
SCHEMBL17182917 0.80 PDE4D (0.40) PDE4D
SCHEMBL17182928 0.80 PDE4D (0.37) PDE4DCHEK1CCNA2CDK2CCNA1
SCHEMBL17182839 0.77 GSK3B (0.39) PDE4DCDK2GSK3B
SCHEMBL15718407 0.77 PDE4D (0.42) PDE4DCDK2PIM1PIM2GSK3B
SCHEMBL17182815 0.73 GSK3B (0.39) PDE4DCDK2PIM1PIM2GSK3B
SCHEMBL17182817 0.73 GSK3B (0.39) PDE4DCDK2PIM1PIM2GSK3B
SCHEMBL17182832 0.73 GSK3B (0.39) PDE4DCDK2PIM1PIM2GSK3B
SCHEMBL17182883 0.73 PDE4D (0.34) PDE4DCHEK1CCNA2CDK2CCNA1
SCHEMBL17182921 0.72 PDE4D (0.35) PDE4DCHEK1CCNA2CDK2CCNA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10570143-B2 Pyrazolopyrimidine compounds UNIVERSITY HEALTH NETWORK (CA) 2020-02-25 — — US disclosed
US-10570143-B2 Pyrazolopyrimidine compounds UNIVERSITY HEALTH NETWORK (CA) 2020-02-25 — — US disclosed
US-20190040074-A1 PYRAZOLOPYRIMIDINE COMPOUNDS UNIVERSITY HEALTH NETWORK (CA) 2019-02-07 — — US disclosed
US-20190040074-A1 PYRAZOLOPYRIMIDINE COMPOUNDS UNIVERSITY HEALTH NETWORK (CA) 2019-02-07 — — US disclosed
EP-2920181-B1 PYRAZOLOPYRIMIDINE COMPOUNDS UNIV HEALTH NETWORK (CA) 2019-01-09 — — EP disclosed
EP-2920181-B1 PYRAZOLOPYRIMIDINE COMPOUNDS UNIV HEALTH NETWORK (CA) 2019-01-09 — — EP disclosed
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-20170217966-A1 PYRAZOLOPYRIMIDINE COMPOUNDS UNIVERSITY HEALTH NETWORK (CA) 2017-08-03 — — 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-9573954-B2 Pyrazolopyrimidine compounds UNIVERSITY HEALTH NETWORK (CA) 2017-02-21 — — 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
US-20150299203-A1 PYRAZOLOPYRIMIDINE COMPOUNDS UNIVERSITY HEALTH NETWORK (CA) 2015-10-22 — — 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 (5 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 520/4885ATXN2 1572/4885GRM4 2863/4885
US-10570143-B2 Pyrazolopyrimidine compounds CYP3A5, CYP3A7, DPYD PDE4D 520/4885ATXN2 1572/4885GRM4 2863/4885
US-10106545-B2 Pyrazolopyrimidine compounds CYP3A5, CYP3A7, DPYD PDE4D 669/4885ATXN2 2101/4885GRM4 2949/4885
US-20170217966-A1 PYRAZOLOPYRIMIDINE COMPOUNDS CYP3A5, CYP3A7, DPYD PDE4D 669/4885ATXN2 2101/4885GRM4 2949/4885
US-20190040074-A1 PYRAZOLOPYRIMIDINE COMPOUNDS CYP3A5, CYP3A7, DPYD PDE4D 669/4885ATXN2 2101/4885GRM4 2949/4885

“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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