SCHEMBL2709776

SCHEMBL2709776

Oc1cc(C(F)(F)F)nc2c(F)cccc12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKD3 O94806 1/20 0.40
MAP4K4 O95819 1/20 0.40
CDK1 P06493 1/20 0.40
CSF1R P07333 1/20 0.40
PIM1 P11309 1/20 0.40
CDK2 P24941 1/20 0.40
MARK3 P27448 1/20 0.40
AKT1 P31749 1/20 0.40
FLT4 P35916 1/20 0.40
FLT3 P36888 1/20 0.40
FRK P42685 1/20 0.40
MAPKAPK2 P49137 1/20 0.40
CLK2 P49760 1/20 0.40
RPS6KA3 P51812 1/20 0.40
MAPK12 P53778 1/20 0.40
CSNK2A1 P68400 1/20 0.40
CDK5 Q00535 1/20 0.40
MAP4K2 Q12851 1/20 0.40
STK3 Q13188 1/20 0.40
CAMK2D Q13557 1/20 0.40

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
SCHEMBL7691626 0.86 PARP1 (0.43) LMNAPOLBADORA2AADORA1KCNH2
SCHEMBL1655812 0.83 KCNH2 (0.49) SRPK1LMNAADORA2AADORA1KCNH2
SCHEMBL31327745 0.82 ENPP3 (0.48) LMNAPOLBADORA2AADORA1KCNH2
SCHEMBL2709066 0.82 ELANE (0.47) LMNAADORA2AADORA1KCNH2CYP3A4
SCHEMBL28858276 0.82 ENPP3 (0.48) LMNAPOLBADORA2AADORA1KCNH2
SCHEMBL2711485 0.82 MAP4K4 (0.41) PRKD3MAP4K4CSF1RPIM1CLK2
SCHEMBL2711028 0.81 NT5E (0.49) PRKD3MAP4K4CDK1CSF1RPIM1
SCHEMBL6354888 0.80 KDM4E (0.38) PRKD3MAP4K4CDK1CSF1RPIM1
SCHEMBL7219919 0.78 GABRA1 (0.42) LMNAADORA2AADORA1KCNH2CYP3A4
SCHEMBL2849310 0.78 POLB (0.42) LMNAPOLBADORA2AADORA1KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104445257-A Preparation method for high-stable-activity titanium silicalite molecular sieve catalyst HEBEI MBET ENGINEERING TECHNOLOGY CO LTD 2015-03-25 CN disclosed
EP-1930319-B1 Proline derivatives and use thereof as drugs MITSUBISHI TANABE PHARMA CORP (JP) 2012-05-02 EP disclosed
WO-2010089341-A1 NOVEL VANCOMYCIN-AMINOQUINOLINE HYBRID MOLECULES THEIR PREPARATION AND THEIR APPLICATION IN THERAPEUTICS PALUMED S.A. (FR) 2010-08-12 WO disclosed
EP-1308439-B1 PROLINE DERIVATIVES AND USE THEREOF AS DRUGS MITSUBISHI TANABE PHARMA CORP (JP) 2008-10-15 EP disclosed
EP-1950199-A1 Proline derivatives and use thereof as drugs Mitsubishi Tanabe Pharma Corporation (JP) 2008-07-30 EP disclosed
EP-1930319-A1 Proline derivatives and use thereof as drugs Mitsubishi Tanabe Pharma Corporation (JP) 2008-06-11 EP disclosed
US-20060173056-A1 Proline derivatives and use thereof as drugs KITAJIMA HIROSHI 2006-08-03 US disclosed
US-7074794-B2 Proline derivatives and the use thereof as drugs MITSUBISHI PHARMA CORPORATION (JP) 2006-07-11 US disclosed
US-7060722-B2 Proline derivatives and use thereof as drugs MITSUBISHI PHARMA CORPORATION (JP) 2006-06-13 US disclosed
US-20050245538-A1 Proline derivatives and use thereof as drugs KITAJIMA HIROSHI 2005-11-03 US disclosed
US-20050239841-A1 New compounds BIOVITRUM AB (SE) 2005-10-27 US disclosed
WO-2005051381-A1 Substituted urea-octatydroindols as antagonists of melanin concentrating hormone receptor 1 (MCH1R) BIOVITRUM AB (SE) 2005-06-09 WO disclosed
US-20040106655-A1 Proline derivatives and the use thereof as drugs MITSUBISHI TANABE PHARMA CORPORATION (JP) 2004-06-03 US disclosed
EP-1308439-A1 PROLINE DERIVATIVES AND USE THEREOF AS DRUGS WELFIDE CORPORATION (JP) 2003-05-07 EP 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 (4 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-20060173056-A1 Proline derivatives and use thereof as drugs DPP4, DPP3, DPP7 PRKD3 2147/4885MAP4K4 1572/4885CDK1 1592/4885
US-20050245538-A1 Proline derivatives and use thereof as drugs DPP4, DPP3, DPP7 PRKD3 2147/4885MAP4K4 1572/4885CDK1 1592/4885
US-20040106655-A1 Proline derivatives and the use thereof as drugs DPP4, DPP3, DPP7 PRKD3 2785/4885MAP4K4 1391/4885CDK1 995/4885
US-20050239841-A1 New compounds MCHR1, NPY1R, HCRTR1 PRKD3 1055/4885MAP4K4 2680/4885CDK1 676/4885

“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.