SCHEMBL799686

SCHEMBL799686

C=C1N=C(N)C=CN1[C@@H]1O[C@H](CO)C(O)C1(F)F

nearest known ligand 0.46

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ PDE4D Q08499 1/20 0.46
▸ PDE3A Q14432 1/20 0.46
▸ SLC29A1 Q99808 1/20 0.46
▸ CDA P32320 8/20 0.39
▸ ADORA2A P29274 2/20 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
SCHEMBL7026520 1.00 PDE4D (0.46) PDE4DPDE3ASLC29A1CDAADORA2A
SCHEMBL799668 1.00 PDE4D (0.46) PDE4DPDE3ASLC29A1CDAADORA2A
SCHEMBL20345667 1.00 PDE4D (0.46) PDE4DPDE3ASLC29A1CDAADORA2A
SCHEMBL10324251 1.00 PDE4D (0.46) PDE4DPDE3ASLC29A1CDAADORA2A
SCHEMBL14768699 1.00 PDE4D (0.46) PDE4DPDE3ASLC29A1CDAADORA2A
SCHEMBL15617563 0.89 PDE4D (0.35) PDE4DPDE3ASLC29A1
SCHEMBL12758154 0.88 PDE4D (0.37) PDE4DPDE3ASLC29A1CDAADORA2A
SCHEMBL14073159 0.88 PDE4D (0.37) PDE4DPDE3ASLC29A1CDAADORA2A
SCHEMBL15334647 0.88 PDE4D (0.37) PDE4DPDE3ASLC29A1CDAADORA2A
SCHEMBL14262807 0.88 PDE4D (0.37) PDE4DPDE3ASLC29A1CDAADORA2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10004735-B2 Methods for treating cancer using TOR kinase inhibitor combination therapy comprising administering substituted pyrazino[2,3-b]pyrazines SIGNAL PHARMACEUTICALS, LLC (US) 2018-06-26 — — US disclosed
US-20170312278-A1 METHODS FOR TREATING CANCER USING TOR KINASE INHIBITOR COMBINATION THERAPY COMPRISING ADMINISTERING SUBSTITUTED PYRAZINO[2,3-b]PYRAZINES SIGNAL PHARM LLC (US) 2017-11-02 — — US disclosed
US-9220696-B2 Pharmaceutical combinations for treatment of specific cancers ARDEA BIOSCIENCES, INC. (US) 2015-12-29 — — US disclosed
US-20150057357-A1 BIS (THIOHYDRAZIDE AMIDE) COMPOUNDS FOR TREATING CANCERS THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY 2015-02-26 — — US disclosed
US-20140080783-A1 PHARMACEUTICAL COMBINATIONS FOR TREATMENT OF SPECIFIC CANCERS ARDEA BIOSCIENCES, INC. (US) 2014-03-20 — — US disclosed
US-20130142805-A1 COMBINATION OF ANTI-CTLA4 ANTIBODY WITH DIVERSE THERAPEUTIC REGIMENS FOR THE SYNERGISTIC TREATMENT OF PROLIFERATIVE DISEASES BRISTOL-MYERS SQUIBB COMPANY (US) 2013-06-06 — — US disclosed
US-8350023-B2 Crystalline polymorphs of gemcitabine base ScnioPharm Taiwan, Ltd. (TW) 2013-01-08 — — US disclosed
US-20120135001-A1 COMBINATION OF ANTI-CTLA4 ANTIBODY WITH DASATINIB FOR THE TREATMENT OF PROLIFERATIVE DISEASES BRISTOL-MYERS SQUIBB COMPANY 2012-05-31 — — US disclosed
US-20120071435-A1 PHARMACEUTICAL COMBINATIONS COMPRISING FOR THE TREATMENT OF SPECIFIC CANCERS ARDEA BIOSCIENCES, INC. (US) 2012-03-22 — — US disclosed
US-20090326214-A1 Crystalline Polymorphs of Gemcitabine Base SCINOPHARM TAIWAN LTD. 2009-12-31 — — 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 (8 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-20120135001-A1 COMBINATION OF ANTI-CTLA4 ANTIBODY WITH DASATINIB FOR THE TREATMENT OF PROLIFERATIVE DISEASES PTPRJ, PTPRCAP, PTPRC PDE4D 1275/4885PDE3A 2058/4885SLC29A1 1306/4885
US-20090326214-A1 Crystalline Polymorphs of Gemcitabine Base TYMP, BLM, TOP2B PDE4D 1953/4885PDE3A 2374/4885SLC29A1 37/4885
US-20120071435-A1 PHARMACEUTICAL COMBINATIONS COMPRISING FOR THE TREATMENT OF SPECIFIC CANCERS TP53, KRAS, PAICS PDE4D 1751/4885PDE3A 1648/4885SLC29A1 3404/4885
US-20150057357-A1 BIS (THIOHYDRAZIDE AMIDE) COMPOUNDS FOR TREATING CANCERS OGG1, UNG, TP53 PDE4D 4164/4885PDE3A 3997/4885SLC29A1 1534/4885
US-20130142805-A1 COMBINATION OF ANTI-CTLA4 ANTIBODY WITH DIVERSE THERAPEUTIC REGIMENS FOR THE SYNERGISTIC TREATMENT OF PROLIFERATIVE DISEASES MALT1, PTPRJ, PTPRCAP PDE4D 1047/4885PDE3A 2569/4885SLC29A1 1012/4885
US-10004735-B2 Methods for treating cancer using TOR kinase inhibitor combination therapy comprising administering substituted pyrazino[2,3-b]pyrazines MTOR, ULK2, TTK PDE4D 3089/4885PDE3A 3057/4885SLC29A1 3538/4885
US-20140080783-A1 PHARMACEUTICAL COMBINATIONS FOR TREATMENT OF SPECIFIC CANCERS TP53, KRAS, PAICS PDE4D 1185/4885PDE3A 1427/4885SLC29A1 3290/4885
US-20170312278-A1 METHODS FOR TREATING CANCER USING TOR KINASE INHIBITOR COMBINATION THERAPY COMPRISING ADMINISTERING SUBSTITUTED PYRAZINO[2,3-b]PYRAZINES MTOR, ULK2, TTK PDE4D 3089/4885PDE3A 3057/4885SLC29A1 3538/4885

“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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