SCHEMBL6280969

SCHEMBL6280969

COc1ccc(C(=O)Cc2ccncc2)cc1OC

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 1/20 0.60
NPC1 O15118 1/20 0.58
LMNA P02545 1/20 0.58
HTT P42858 1/20 0.58
CTNNB1 P35222 3/20 0.58
WNT3A P56704 3/20 0.58
KMT2A Q03164 4/20 0.57
MEN1 O00255 3/20 0.57
ALDH1A1 P00352 3/20 0.57
PKM P14618 1/20 0.57
POLB P06746 2/20 0.54
RAB9A P51151 1/20 0.54
TSHR P16473 2/20 0.54
MAPT P10636 2/20 0.54
NAMPT P43490 1/20 0.53
CYP3A4 P08684 2/20 0.53
CYP2C9 P11712 2/20 0.53
CYP1A2 P05177 1/20 0.53
CYP2C19 P33261 1/20 0.53
CA12 O43570 1/20 0.51

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
SCHEMBL5626806 0.87 PDE4D (0.56) PDE4DNPC1LMNAHTTCTNNB1
SCHEMBL6283343 0.85 PDE4B (0.57) PDE4D
SCHEMBL1515747 0.84 NPC1 (0.63) PDE4DNPC1LMNAHTTCTNNB1
SCHEMBL30040198 0.84 LMNA (0.79) PDE4DNPC1LMNAHTTCTNNB1
SCHEMBL7821807 0.84 LMNA (0.79) PDE4DNPC1LMNAHTTCTNNB1
SCHEMBL3943149 0.83 LMNA (0.83) PDE4DNPC1LMNAHTTCTNNB1
SCHEMBL15969141 0.83 CTNNB1 (0.72) PDE4DLMNACTNNB1WNT3AKMT2A
SCHEMBL6276143 0.83 ALDH1A1 (0.67) PDE4DNPC1LMNAHTTKMT2A
SCHEMBL7478031 0.83 PDE4D (0.52) PDE4DNPC1LMNAHTTCTNNB1
SCHEMBL10956366 0.82 NPC1 (0.62) PDE4DNPC1LMNAHTTCTNNB1

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-6962933-B1 Method for inhibiting p38 MAP kinase or TNF-α production using a 1,3-thiazole TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2005-11-08 US disclosed
US-20050090529-A1 3,5 Disubstituted indazole compounds with nitrogen-bearing 5-membered heterocycles, pharmaceutical compositions, and methods for mediating or inhibiting cell proliferation PFIZER INC 2005-04-28 US disclosed
US-20050080113-A1 Medicinal compositions TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2005-04-14 US disclosed
US-20040097555-A1 Concomitant drugs TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-05-20 US disclosed
EP-1402900-A1 MEDICINAL COMPOSITIONS Takeda Chemical Industries, Ltd. (JP) 2004-03-31 EP disclosed
EP-1027050-B1 1,3-THIAZOLES AS ADENOSINE A3 RECEPTOR ANTAGONISTS FOR THE TREATMENT OF ALLERGY, ASTHMA AND DIABETES TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2004-01-14 EP disclosed
EP-1354603-A1 CONCOMITANT DRUGS Takeda Chemical Industries, Ltd. (JP) 2003-10-22 EP disclosed
US-6620825-B1 1,3-Azole compound substituted by pyridyl; administering as antiasthmatic, antiinflammatory or antiallergen agents TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2003-09-16 US disclosed
US-6436966-B1 Adenosine A3 receptor antagonists TAKEDA CHEMICAL IND., LTD. (JP) 2002-08-20 US disclosed
EP-1205478-A1 p38MAP KINASE INHIBITORS Takeda Chemical Industries, Ltd. (JP) 2002-05-15 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 (3 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-20050080113-A1 Medicinal compositions TNF, TRAF6, MMP8 PDE4D 611/4885NPC1 1275/4885LMNA 3321/4885
US-20040097555-A1 Concomitant drugs TNF, CHUK, CNKSR1 PDE4D 1732/4885NPC1 3258/4885LMNA 3773/4885
US-20050090529-A1 3,5 Disubstituted indazole compounds with nitrogen-bearing 5-membered heterocycles, pharmaceutical compositions, and methods for mediating or inhibiting cell proliferation CDK3, CDK4, CDK9 PDE4D 670/4885NPC1 3971/4885LMNA 2990/4885

“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.