SCHEMBL9933985

SCHEMBL9933985

[CH2]c1ccnc2[nH]ncc12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NUDT1 P36639 3/20 0.49
PIK3CD O00329 1/20 0.46
PIK3CA P42336 1/20 0.46
PIK3CB P42338 1/20 0.46
XDH P47989 2/20 0.44
RET P07949 1/20 0.44
PI4KA P42356 1/20 0.44
LRRK2 Q5S007 1/20 0.44
PI4K2B Q8TCG2 1/20 0.44
PI4K2A Q9BTU6 1/20 0.44
PI4KB Q9UBF8 1/20 0.44
BRD4 O60885 1/20 0.43
LMNA P02545 1/20 0.41
TSHR P16473 1/20 0.41
ADORA2A P29274 1/20 0.41
SLC6A4 P31645 1/20 0.41
ADRA1A P35348 1/20 0.41
RAB9A P51151 1/20 0.41
BLM P54132 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL17409868 0.80 PIK3CD (0.44) NUDT1PIK3CDPIK3CAPIK3CBXDH
SCHEMBL28793917 0.77 NUDT1 (0.51) NUDT1PIK3CDPIK3CAPIK3CBBRD4
SCHEMBL29487195 0.75 XDH (0.53) NUDT1PIK3CDPIK3CAPIK3CBXDH
SCHEMBL2619223 0.75 CHEK1 (0.47) NUDT1PIK3CDPIK3CAPIK3CBXDH
SCHEMBL29705496 0.75 NUDT1 (0.53) NUDT1PIK3CDPIK3CAPIK3CBXDH
SCHEMBL290117 0.75 NOS1 (0.47) NUDT1PIK3CDPIK3CAPIK3CBXDH
SCHEMBL2112472 0.75 PIK3CD (0.46) NUDT1PIK3CDPIK3CAPIK3CBXDH
SCHEMBL29506132 0.75 NOS1 (0.47) NUDT1PIK3CDPIK3CAPIK3CBXDH
SCHEMBL21855766 0.75 PIK3CD (0.46) NUDT1PIK3CDPIK3CAPIK3CBXDH
SCHEMBL1835481 0.75 XDH (0.53) NUDT1PIK3CDPIK3CAPIK3CBXDH

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 31 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3131897-B1 FACTOR IXA INHIBITORS MERCK SHARP & DOHME (US) 2022-06-15 EP disclosed
EP-3131896-B1 FACTOR IXA INHIBITORS MERCK SHARP & DOHME (US) 2019-01-30 EP disclosed
EP-3122741-B1 8-(PIPERAZIN-1-YL)-1,2,3,4-TETRAHYDRO-ISOQUINOLINE DERIVATIVES IDORSIA PHARMACEUTICALS LTD (CH) 2018-06-06 EP disclosed
US-9969724-B2 Factor IXa inhibitors MERCK SHARP & DOHME CORP. (US) 2018-05-15 US disclosed
US-9951063-B2 8-(piperazin-1-yl)-1,2,3,4-tetrahydro-isoquinoline derivatives IDORSIA PHARMACEUTICALS LTD (CH) 2018-04-24 US disclosed
US-9808445-B2 Factor IXa inhibitors MERCK SHARP & DOHME CORP. (US) 2017-11-07 US disclosed
US-20170129880-A1 FACTOR IXa INHIBITORS MERCK SHARP & DOHME LLC 2017-05-11 US disclosed
US-20170107214-A1 8-(PIPERAZIN-1-YL)-1,2,3,4-TETRAHYDRO-ISOQUINOLINE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2017-04-20 US disclosed
US-20170027916-A1 FACTOR IXa INHIBITORS MERCK SHARP & DOHME CORP. (US) 2017-02-02 US disclosed
EP-3122741-A1 8-(PIPERAZIN-1-YL)-1,2,3,4-TETRAHYDRO-ISOQUINOLINE DERIVATIVES Actelion Pharmaceuticals Ltd (CH) 2017-02-01 EP disclosed
US-20130217690-A1 NOVEL 3-HYDROXYISOTHIAZOLE 1-OXIDE DERIVATIVES MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2013-08-22 US disclosed
US-20130210721-A1 NOVEL 3-HYDROXYISOTHIAZOLE 1-OXIDE DERIVATIVES MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2013-08-15 US disclosed
US-20130203739-A1 CYCLIC AMIDE DERIVATIVE MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2013-08-08 US disclosed
US-8476287-B2 3-hydroxy-5-arylisothiazole derivative MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2013-07-02 US disclosed
US-8455500-B2 3-hydroxy-5-arylisoxazole derivative MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2013-06-04 US disclosed
US-20120277150-A1 NOVEL 3-HYDROXYISOTHIAZOLE 1-OXIDE DERIVATIVE MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2012-11-01 US disclosed
EP-2518060-A1 NOVEL 3-HYDROXY-5-ARYLISOTHIAZOLE DERIVATIVE Mochida Pharmaceutical Co., Ltd. (JP) 2012-10-31 EP disclosed
EP-2495238-A1 NOVEL 3-HYDROXY-5-ARYLISOXAZOLE DERIVATIVE Mochida Pharmaceutical Co., Ltd. (JP) 2012-09-05 EP disclosed
US-20120220772-A1 NOVEL 3-HYDROXY-5-ARYLISOXAZOLE DERIVATIVE MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2012-08-30 US disclosed
US-20120157459-A1 NOVEL 3-HYDROXY-5-ARYLISOTHIAZOLE DERIVATIVE MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2012-06-21 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 (9 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-20170129880-A1 FACTOR IXa INHIBITORS F9, F12, TFPI NUDT1 2924/4885PIK3CD 4013/4885PIK3CA 2677/4885
US-20130210721-A1 NOVEL 3-HYDROXYISOTHIAZOLE 1-OXIDE DERIVATIVES GPR119, GPR27, GPR65 NUDT1 2478/4885PIK3CD 2624/4885PIK3CA 3095/4885
US-20170107214-A1 8-(PIPERAZIN-1-YL)-1,2,3,4-TETRAHYDRO-ISOQUINOLINE DERIVATIVES CXCR3, CXCR1, CXCR2 NUDT1 1928/4885PIK3CD 1543/4885PIK3CA 1309/4885
US-20130217690-A1 NOVEL 3-HYDROXYISOTHIAZOLE 1-OXIDE DERIVATIVES GPR119, GPR27, GPR65 NUDT1 2478/4885PIK3CD 2624/4885PIK3CA 3095/4885
US-20170027916-A1 FACTOR IXa INHIBITORS F9, F12, TFPI NUDT1 2924/4885PIK3CD 4013/4885PIK3CA 2677/4885
US-20120157459-A1 NOVEL 3-HYDROXY-5-ARYLISOTHIAZOLE DERIVATIVE GPR119, GPR27, NR0B1 NUDT1 1963/4885PIK3CD 2692/4885PIK3CA 2696/4885
US-20120220772-A1 NOVEL 3-HYDROXY-5-ARYLISOXAZOLE DERIVATIVE GPR119, GPR27, NR0B1 NUDT1 2216/4885PIK3CD 2145/4885PIK3CA 1861/4885
US-20120277150-A1 NOVEL 3-HYDROXYISOTHIAZOLE 1-OXIDE DERIVATIVE GPR119, GPR27, GPR65 NUDT1 2599/4885PIK3CD 2665/4885PIK3CA 3176/4885
US-20130203739-A1 CYCLIC AMIDE DERIVATIVE GPR119, NR0B1, NR2C2 NUDT1 4203/4885PIK3CD 2424/4885PIK3CA 2475/4885

“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.