SCHEMBL6280463

SCHEMBL6280463

COc1ccc(C(=O)Cc2cccnc2)cc1

nearest known ligand 0.65

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.65
IDO1 P14902 2/20 0.59
LMNA P02545 2/20 0.57
KMT2A Q03164 4/20 0.57
RAB9A P51151 2/20 0.55
NPC1 O15118 2/20 0.54
HTT P42858 2/20 0.54
SMN1; SMN2 Q16637 1/20 0.53
NAPRT Q6XQN6 1/20 0.53
KDM4E B2RXH2 1/20 0.52
POLB P06746 1/20 0.52
CYP1A1 P04798 1/20 0.52
CYP1A2 P05177 1/20 0.52
CYP1B1 Q16678 1/20 0.52
THRB P10828 1/20 0.52

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
SCHEMBL11606129 0.96 GAA (0.61) GAAIDO1LMNAKMT2ARAB9A
SCHEMBL7367952 0.87 RAB9A (0.68) GAALMNAKMT2ARAB9ANPC1
SCHEMBL6285165 0.86 LMNA (0.51) GAAIDO1LMNAKMT2AHTT
SCHEMBL31326709 0.85 KDM4E (0.64) GAALMNAKMT2ARAB9AKDM4E
SCHEMBL11799106 0.85 ALDH1A1 (0.59) GAAIDO1KMT2ARAB9ANPC1
SCHEMBL10664827 0.85 KDM4E (0.64) GAALMNAKMT2ARAB9AKDM4E
SCHEMBL6276599 0.85 IDO1 (0.59) GAAIDO1KMT2ARAB9ASMN1; SMN2
SCHEMBL11606857 0.85 MMP13 (0.67) GAAIDO1LMNAKMT2AHTT
SCHEMBL11603528 0.84 NAMPT (0.60) GAAIDO1LMNAKMT2ARAB9A
SCHEMBL11612679 0.83 GAA (0.51) GAAIDO1LMNAKMT2ANPC1

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 16 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-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
EP-1027050-A2 ADENOSINE A3 RECEPTOR ANTAGONISTS Takeda Chemical Industries, Ltd. (JP) 2000-08-16 EP disclosed
WO-1999021555-A2 ADENOSINE A3 RECEPTOR ANTAGONISTS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1999-05-06 WO disclosed
EP-0149884-B1 5-PYRIDYL-1,3-THIAZOLE DERIVATIVES, THEIR PRODUCTION AND USE Takeda Chemical Industries, Ltd. (JP) 1992-12-16 EP disclosed
US-4746671-A THROMBOXANE SYNTHETASE INHIBITION JANSSEN PHARMACEUTICA N.V. (BE) 1988-05-24 US disclosed
US-4612321-A 5-pyridyl-1,3-thiazole derivatives TAKEDA CHEMICAL INDUSTRIES, INC. (JP) 1986-09-16 US disclosed
EP-0149884-A2 5-Pyridyl-1,3-thiazole derivatives, their production and use Takeda Chemical Industries, Ltd. (JP) 1985-07-31 EP disclosed
US-3953434-A Dienes useful in the preparation of 1,2,3,4,4a,5,6,7-octahydro-7-aryl-isoquinolines E. R. SQUIBB & SONS, INC. (US) 1976-04-27 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 (2 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 GAA 2036/4885IDO1 3933/4885LMNA 3321/4885
US-20040097555-A1 Concomitant drugs TNF, CHUK, CNKSR1 GAA 2982/4885IDO1 1026/4885LMNA 3773/4885

“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.