SCHEMBL16320549

SCHEMBL16320549

Cn1cc(-c2nc(C(F)(F)F)cs2)cn1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CLK2 P49760 1/20 0.40
LRRK2 Q5S007 1/20 0.40
NPBWR1 P48145 1/20 0.37
DYRK1A Q13627 1/20 0.37
PLAT P00750 1/20 0.37
C1S P09871 1/20 0.36
IDH1 O75874 1/20 0.36
KCNT1 Q5JUK3 1/20 0.35
LOXL2 Q9Y4K0 5/20 0.35
PIK3CD O00329 1/20 0.34
PIK3CA P42336 1/20 0.34
PIK3CB P42338 1/20 0.34
PI4KA P42356 1/20 0.34
PIK3CG P48736 1/20 0.34
PI4KB Q9UBF8 1/20 0.34
PDK2 Q15119 1/20 0.34
LOXL3 P58215 2/20 0.34
EPHB4 P54760 1/20 0.34
TEK Q02763 1/20 0.34
CCNE2 O96020 1/20 0.34

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
SCHEMBL18997028 0.86 CLK2 (0.40) CLK2LRRK2DYRK1APLATC1S
SCHEMBL578258 0.81 C1S (0.39) NPBWR1C1SIDH1KCNT1LOXL2
SCHEMBL586233 0.80 NTRK1 (0.34) NPBWR1DYRK1AC1SIDH1KCNT1
SCHEMBL13147749 0.80 C1S (0.38) NPBWR1DYRK1AC1SIDH1KCNT1
SCHEMBL14706481 0.78 NTRK1 (0.35) NPBWR1DYRK1AC1SIDH1KCNT1
SCHEMBL19002406 0.77 CYP3A4 (0.47) CLK2LRRK2DYRK1AC1SPIK3CD
SCHEMBL14227563 0.76 C1S (0.43) CLK2LRRK2DYRK1AC1SLOXL2
SCHEMBL28572405 0.76 CLK2 (0.44) CLK2LRRK2DYRK1AC1SLOXL2
Hydrochloric Acid SCHEMBL31341065 0.74 C1S (0.43) CLK2LRRK2DYRK1AC1SLOXL2
SCHEMBL14227561 0.72 CLK2 (0.56) CLK2LRRK2C1SPIK3CGGRM2

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
US-9777000-B2 Pyrazole derivative MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2017-10-03 US disclosed
CN-107074845-A The manufacture method of pyrazole derivatives 持田制药株式会社 2017-08-18 CN disclosed
CN-107074844-A The manufacture method of pyrazole derivatives 持田制药株式会社 2017-08-18 CN disclosed
US-20160347751-A1 NOVEL PYRAZOLE DERIVATIVE MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2016-12-01 US disclosed
US-9458157-B2 Pyrazole derivative MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2016-10-04 US disclosed
US-9453015-B2 Pyrazole derivative MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2016-09-27 US disclosed
US-9440970-B2 Pyrazole derivative MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2016-09-13 US disclosed
US-20150166536-A1 NOVEL PYRAZOLE DERIVATIVE MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2015-06-18 US disclosed
US-20150132327-A1 NOVEL PYRAZOLE DERIVATIVE MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2015-05-14 US disclosed
US-20150133448-A1 NOVEL PYRAZOLE DERIVATIVE MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2015-05-14 US disclosed
US-8980888-B2 Pyrazole derivative MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2015-03-17 US disclosed
US-8980889-B2 Pyrazole derivative MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2015-03-17 US disclosed
US-20140378448-A1 NOVEL PYRAZOLE DERIVATIVE MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2014-12-25 US disclosed
US-20140378447-A1 NOVEL PYRAZOLE DERIVATIVE MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2014-12-25 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 (6 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-20150166536-A1 NOVEL PYRAZOLE DERIVATIVE PDE10A, PDE3A, PDE5A CLK2 1752/4885LRRK2 1637/4885NPBWR1 4184/4885
US-20140378447-A1 NOVEL PYRAZOLE DERIVATIVE PDE10A, PDE3A, PDE5A CLK2 1752/4885LRRK2 1637/4885NPBWR1 4184/4885
US-20160347751-A1 NOVEL PYRAZOLE DERIVATIVE PDE10A, PDE3A, PDE5A CLK2 1752/4885LRRK2 1637/4885NPBWR1 4184/4885
US-20140378448-A1 NOVEL PYRAZOLE DERIVATIVE PDE10A, PDE3A, PDE5A CLK2 1752/4885LRRK2 1637/4885NPBWR1 4184/4885
US-20150133448-A1 NOVEL PYRAZOLE DERIVATIVE PDE10A, PDE3A, PDE5A CLK2 1752/4885LRRK2 1637/4885NPBWR1 4184/4885
US-20150132327-A1 NOVEL PYRAZOLE DERIVATIVE PDE10A, PDE3A, PDE5A CLK2 1752/4885LRRK2 1637/4885NPBWR1 4184/4885

“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.