SCHEMBL853383

SCHEMBL853383

CC(c1ccc(N)cc1)N(C)C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 5/20 0.44
ALDH1A1 P00352 5/20 0.44
CYP3A4 P08684 3/20 0.44
MAPK1 P28482 3/20 0.44
TP53 P04637 2/20 0.44
ALOX15 P16050 1/20 0.44
MEN1 O00255 3/20 0.40
MAPT P10636 3/20 0.40
KMT2A Q03164 3/20 0.40
ACHE P22303 5/20 0.38
PYCR1 P32322 1/20 0.37
CHRNA7 P36544 1/20 0.36
GAA P10253 1/20 0.35
ALOX12 P18054 1/20 0.35
HTT P42858 1/20 0.35
HIF1A Q16665 1/20 0.35
ALOX5 P09917 2/20 0.35
BCHE P06276 4/20 0.35
L3MBTL1 Q9Y468 2/20 0.34
PSMD14 O00487 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
SCHEMBL5375704 1.00 TDP1 (0.44) TDP1ALDH1A1CYP3A4MAPK1TP53
Hydrochloric Acid SCHEMBL6675940 0.98 ALDH1A1 (0.42) TDP1ALDH1A1CYP3A4MAPK1TP53
SCHEMBL18762840 0.87 CHRNA7 (0.43) ALDH1A1MEN1MAPTKMT2AACHE
SCHEMBL28671135 0.85 TDP1 (0.44) TDP1ALDH1A1CYP3A4MAPK1TP53
SCHEMBL11230687 0.84 TYR (0.42) MEN1MAPTKMT2AACHEPYCR1
SCHEMBL8904224 0.77 CHRNA7 (0.61) TDP1ALDH1A1CYP3A4MAPK1TP53
SCHEMBL12313 0.77 CHRNA7 (0.61) TDP1ALDH1A1MEN1MAPTKMT2A
SCHEMBL5955 0.75 MAPT (0.53) TDP1ALDH1A1CYP3A4MAPK1TP53
SCHEMBL8302666 0.75 ALDH1A1 (0.55) TDP1ALDH1A1CYP3A4MAPK1TP53
SCHEMBL4592098 0.75 PYCR1 (0.37) MEN1MAPTKMT2AACHEPYCR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8901315-B2 Thienopyrazole derivative having PDE7 inhibitory activity DAIICHI SANKYO COMPANY, LIMITED (JP) 2014-12-02 US disclosed
US-20140073799-A1 THIENOPYRAZOLE DERIVATIVE HAVING PDE7 INHIBITORY ACTIVITY DAIICHI SANKYO COMPANY, LIMITED (JP) 2014-03-13 US disclosed
EP-1775298-B1 THIENOPYRAZOLE DERIVATIVE HAVING PDE7 INHIBITORY ACTIVITY DAIICHI SANKYO CO LTD (JP) 2013-03-20 EP disclosed
EP-2433943-A1 Thienopyrazole derivatives having PDE7 inhibitory activity Daiichi Sankyo Company, Limited (JP) 2012-03-28 EP disclosed
US-20110166343-A1 THIENOPYRAZOLE DERIVATIVE HAVING PDE7 INHIBITORY ACTIVITY DAIICHI SANKYO COMPANY, LIMITED (JP) 2011-07-07 US disclosed
US-7932250-B2 Thienopyrazole derivative having PDE7 inhibitory activity DAIICHI SANKYO COMPANY, LIMITED (JP) 2011-04-26 US disclosed
US-20090131413-A1 Thienopyrazole Derivative Having PDE7 Inhibitory Activity ASUBIO PHARMA CO., LTD. (JP) 2009-05-21 US disclosed
US-20080269293-A1 PYRAZOLE DERIVATIVES AS ANTI-PLATELET AND ANTI-THROMBOTIC AGENTS PFIZER INC. 2008-10-30 US disclosed
US-20080269293-A1 PYRAZOLE DERIVATIVES AS ANTI-PLATELET AND ANTI-THROMBOTIC AGENTS PFIZER INC. 2008-10-30 US disclosed
US-20080269293-A1 PYRAZOLE DERIVATIVES AS ANTI-PLATELET AND ANTI-THROMBOTIC AGENTS PFIZER INC. 2008-10-30 US disclosed
WO-2008023235-A1 PYRAZOLE DERIVATIVES AS ANTI-PLATELET AND ANTI-THROMBOTIC AGENTS PFIZER PRODUCTS INC. (US) 2008-02-28 WO disclosed
WO-2008023235-A1 PYRAZOLE DERIVATIVES AS ANTI-PLATELET AND ANTI-THROMBOTIC AGENTS PFIZER PRODUCTS INC. (US) 2008-02-28 WO disclosed
EP-1775298-A1 THIENOPYRAZOLE DERIVATIVE HAVING PDE7 INHIBITORY ACTIVITY Daiichi Asubio Pharma Co., Ltd. (JP) 2007-04-18 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-20140073799-A1 THIENOPYRAZOLE DERIVATIVE HAVING PDE7 INHIBITORY ACTIVITY PDE7A, PDE7B, PDE3B TDP1 811/4885ALDH1A1 2864/4885CYP3A4 601/4885
US-20110166343-A1 THIENOPYRAZOLE DERIVATIVE HAVING PDE7 INHIBITORY ACTIVITY PDE7A, PDE7B, PDE3B TDP1 811/4885ALDH1A1 2864/4885CYP3A4 601/4885
US-20080269293-A1 PYRAZOLE DERIVATIVES AS ANTI-PLATELET AND ANTI-THROMBOTIC AGENTS P2RY1, P2RY11, P2RX7 TDP1 527/4885ALDH1A1 1380/4885CYP3A4 334/4885
US-20090131413-A1 Thienopyrazole Derivative Having PDE7 Inhibitory Activity PDE7A, PDE7B, PDE3B TDP1 811/4885ALDH1A1 2864/4885CYP3A4 601/4885

“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.